* 5'-CGCGAATTCGCG-3' GENERATED COORDINATES, ALL-HYDROGEN * |||||||||||| * 3'-GCGCTTAAGCGC-5' * /USR/BEACON1/ALEX/PARAM/TOPPAR_JAN94/TOP_ALL22_NA_B6B.INP * /USR/BEACON1/ALEX/PARAM/TOPPAR_JAN94/PAR_ALL22_NA_B6B.INP * DATE: 8/25/94 9:11: 0 CREATED BY USER: * 758 1 1 CYT H5T 20.64489 8.24226 3.13636 DNA1 1 0.00000 2 1 CYT O5' 20.12946 8.18526 2.32848 DNA1 1 0.00000 3 1 CYT C5' 21.06144 8.41821 1.24254 DNA1 1 0.00000 4 1 CYT H5' 21.80074 7.58924 1.21897 DNA1 1 0.00000 5 1 CYT H5'' 21.44458 9.45858 1.31432 DNA1 1 0.00000 6 1 CYT C4' 20.33358 8.34699 -0.07994 DNA1 1 0.00000 7 1 CYT H4' 20.91865 8.83779 -0.88687 DNA1 1 0.00000 8 1 CYT O4' 20.17578 6.94093 -0.45253 DNA1 1 0.00000 9 1 CYT C1' 18.82953 6.54607 -0.27267 DNA1 1 0.00000 10 1 CYT H1' 18.43845 6.33474 -1.29087 DNA1 1 0.00000 11 1 CYT N1 18.82518 5.31891 0.56945 DNA1 1 0.00000 12 1 CYT C6 18.92258 5.39052 1.92038 DNA1 1 0.00000 13 1 CYT H6 19.00734 6.38817 2.35118 DNA1 1 0.00000 14 1 CYT C2 18.72086 4.08885 -0.07481 DNA1 1 0.00000 15 1 CYT O2 18.63172 4.06396 -1.30922 DNA1 1 0.00000 16 1 CYT N3 18.71476 2.90862 0.86942 DNA1 1 0.00000 17 1 CYT C4 18.81075 3.01817 2.00814 DNA1 1 0.00000 18 1 CYT N4 18.80291 1.88454 2.69082 DNA1 1 0.00000 19 1 CYT H41 18.71566 1.01275 2.18836 DNA1 1 0.00000 20 1 CYT H42 18.88271 1.88837 3.69766 DNA1 1 0.00000 21 1 CYT C5 18.91427 4.26963 2.69268 DNA1 1 0.00000 22 1 CYT H5 18.98044 4.26724 3.78067 DNA1 1 0.00000 23 1 CYT C2' 18.07548 7.71636 0.34521 DNA1 1 0.00000 24 1 CYT H2'' 18.11590 7.61625 1.45095 DNA1 1 0.00000 25 1 CYT H2' 17.06518 7.76567 -0.11435 DNA1 1 0.00000 26 1 CYT C3' 18.91186 8.90442 -0.10281 DNA1 1 0.00000 27 1 CYT H3' 18.80453 9.70792 0.65692 DNA1 1 0.00000 28 1 CYT O3' 18.50703 9.29579 -1.41213 DNA1 1 0.00000 29 2 GUA P 16.95484 9.32575 -1.77611 DNA1 2 0.00000 30 2 GUA O1P 16.69516 10.38770 -2.76689 DNA1 2 0.00000 31 2 GUA O2P 16.16158 9.39851 -0.52511 DNA1 2 0.00000 32 2 GUA O5' 16.75801 7.89270 -2.44534 DNA1 2 0.00000 33 2 GUA C5' 17.71515 7.44963 -3.44059 DNA1 2 0.00000 34 2 GUA H5' 18.45394 6.76821 -2.96710 DNA1 2 0.00000 35 2 GUA H5'' 18.11145 8.32929 -3.99145 DNA1 2 0.00000 36 2 GUA C4' 17.01589 6.61026 -4.48596 DNA1 2 0.00000 37 2 GUA H4' 17.62125 6.53699 -5.41466 DNA1 2 0.00000 38 2 GUA O4' 16.85628 5.25275 -3.96418 DNA1 2 0.00000 39 2 GUA C1' 15.50366 5.02916 -3.61531 DNA1 2 0.00000 40 2 GUA H1' 15.13318 4.25681 -4.32280 DNA1 2 0.00000 41 2 GUA N9 15.47220 4.53008 -2.21419 DNA1 2 0.00000 42 2 GUA C4 15.38127 3.20934 -1.83815 DNA1 2 0.00000 43 2 GUA N3 15.30060 2.15038 -2.68761 DNA1 2 0.00000 44 2 GUA C2 15.21370 0.99002 -2.04197 DNA1 2 0.00000 45 2 GUA N1 15.21780 0.87997 -0.66714 DNA1 2 0.00000 46 2 GUA H1 15.15764 -0.06733 -0.26727 DNA1 2 0.00000 47 2 GUA N2 15.12625 -0.15534 -2.72531 DNA1 2 0.00000 48 2 GUA H21 15.05627 -1.08750 -2.34284 DNA1 2 0.00000 49 2 GUA H22 15.13061 -0.08064 -3.73254 DNA1 2 0.00000 50 2 GUA C6 15.29768 1.96004 0.22981 DNA1 2 0.00000 51 2 GUA O6 15.28568 1.74462 1.44081 DNA1 2 0.00000 52 2 GUA C5 15.38182 3.19437 -0.45476 DNA1 2 0.00000 53 2 GUA N7 15.47348 4.49554 0.04000 DNA1 2 0.00000 54 2 GUA C8 15.52580 5.24078 -1.03341 DNA1 2 0.00000 55 2 GUA H8 15.60465 6.32735 -1.06884 DNA1 2 0.00000 56 2 GUA C2' 14.74462 6.33328 -3.81976 DNA1 2 0.00000 57 2 GUA H2'' 14.75993 6.90233 -2.86568 DNA1 2 0.00000 58 2 GUA H2' 13.74509 6.09578 -4.24266 DNA1 2 0.00000 59 2 GUA C3' 15.59902 7.03739 -4.86189 DNA1 2 0.00000 60 2 GUA H3' 15.48063 8.13310 -4.72143 DNA1 2 0.00000 61 2 GUA O3' 15.22567 6.58283 -6.15955 DNA1 2 0.00000 62 3 CYT P 13.68206 6.38240 -6.50562 DNA1 3 0.00000 63 3 CYT O1P 13.45166 6.65770 -7.93729 DNA1 3 0.00000 64 3 CYT O2P 12.86220 7.16980 -5.55333 DNA1 3 0.00000 65 3 CYT O5' 13.48978 4.82727 -6.21048 DNA1 3 0.00000 66 3 CYT C5' 14.46526 3.89144 -6.73459 DNA1 3 0.00000 67 3 CYT H5' 15.18899 3.62366 -5.93532 DNA1 3 0.00000 68 3 CYT H5'' 14.87933 4.28268 -7.68842 DNA1 3 0.00000 69 3 CYT C4' 13.78304 2.59424 -7.10172 DNA1 3 0.00000 70 3 CYT H4' 14.40857 1.99445 -7.79691 DNA1 3 0.00000 71 3 CYT O4' 13.60246 1.80015 -5.88603 DNA1 3 0.00000 72 3 CYT C1' 12.24098 1.81455 -5.50257 DNA1 3 0.00000 73 3 CYT H1' 11.88066 0.77130 -5.62954 DNA1 3 0.00000 74 3 CYT N1 12.17534 2.23371 -4.07661 DNA1 3 0.00000 75 3 CYT C6 12.22666 3.54324 -3.72302 DNA1 3 0.00000 76 3 CYT H6 12.32171 4.26414 -4.53504 DNA1 3 0.00000 77 3 CYT C2 12.06233 1.23719 -3.10983 DNA1 3 0.00000 78 3 CYT O2 12.01628 0.05483 -3.47135 DNA1 3 0.00000 79 3 CYT N3 11.99248 1.76948 -1.69679 DNA1 3 0.00000 80 3 CYT C4 12.05091 2.88817 -1.44611 DNA1 3 0.00000 81 3 CYT N4 11.98983 3.18471 -0.15750 DNA1 3 0.00000 82 3 CYT H41 11.89815 2.43430 0.51226 DNA1 3 0.00000 83 3 CYT H42 12.03397 4.14467 0.15337 DNA1 3 0.00000 84 3 CYT C5 12.16225 3.92936 -2.41997 DNA1 3 0.00000 85 3 CYT H5 12.18979 4.96428 -2.07896 DNA1 3 0.00000 86 3 CYT C2' 11.49586 2.74477 -6.45102 DNA1 3 0.00000 87 3 CYT H2'' 11.49414 3.76572 -6.01285 DNA1 3 0.00000 88 3 CYT H2' 10.50424 2.29697 -6.67570 DNA1 3 0.00000 89 3 CYT C3' 12.37780 2.70895 -7.68872 DNA1 3 0.00000 90 3 CYT H3' 12.26433 3.67741 -8.22119 DNA1 3 0.00000 91 3 CYT O3' 12.02975 1.57488 -8.47920 DNA1 3 0.00000 92 4 GUA P 10.49268 1.19863 -8.67498 DNA1 4 0.00000 93 4 GUA O1P 10.29558 0.57926 -10.00064 DNA1 4 0.00000 94 4 GUA O2P 9.65780 2.38973 -8.38590 DNA1 4 0.00000 95 4 GUA O5' 10.28293 0.11259 -7.52707 DNA1 4 0.00000 96 4 GUA C5' 11.26297 -0.94540 -7.38104 DNA1 4 0.00000 97 4 GUA H5' 11.96804 -0.68734 -6.56214 DNA1 4 0.00000 98 4 GUA H5'' 11.69944 -1.18623 -8.37392 DNA1 4 0.00000 99 4 GUA C4' 10.57979 -2.21677 -6.92967 DNA1 4 0.00000 100 4 GUA H4' 11.21534 -3.10668 -7.12578 DNA1 4 0.00000 101 4 GUA O4' 10.36701 -2.14608 -5.48450 DNA1 4 0.00000 102 4 GUA C1' 8.99761 -1.91889 -5.21209 DNA1 4 0.00000 103 4 GUA H1' 8.63287 -2.84029 -4.70980 DNA1 4 0.00000 104 4 GUA N9 8.90377 -0.74206 -4.30571 DNA1 4 0.00000 105 4 GUA C4 8.76571 -0.79685 -2.93760 DNA1 4 0.00000 106 4 GUA N3 8.68798 -1.93461 -2.19668 DNA1 4 0.00000 107 4 GUA C2 8.54854 -1.68365 -0.89702 DNA1 4 0.00000 108 4 GUA N1 8.50111 -0.40933 -0.36733 DNA1 4 0.00000 109 4 GUA H1 8.40243 -0.32407 0.65438 DNA1 4 0.00000 110 4 GUA N2 8.45588 -2.68902 -0.02251 DNA1 4 0.00000 111 4 GUA H21 8.34854 -2.61546 0.97907 DNA1 4 0.00000 112 4 GUA H22 8.49764 -3.62332 -0.40387 DNA1 4 0.00000 113 4 GUA C6 8.57696 0.77911 -1.11342 DNA1 4 0.00000 114 4 GUA O6 8.51660 1.86293 -0.53504 DNA1 4 0.00000 115 4 GUA C5 8.71696 0.51290 -2.49586 DNA1 4 0.00000 116 4 GUA N7 8.82440 1.39019 -3.57624 DNA1 4 0.00000 117 4 GUA C8 8.93379 0.60205 -4.61493 DNA1 4 0.00000 118 4 GUA H8 9.04164 0.90726 -5.65575 DNA1 4 0.00000 119 4 GUA C2' 8.28004 -1.72862 -6.54154 DNA1 4 0.00000 120 4 GUA H2'' 8.27545 -0.64496 -6.78645 DNA1 4 0.00000 121 4 GUA H2' 7.29064 -2.23047 -6.48181 DNA1 4 0.00000 122 4 GUA C3' 9.18853 -2.47764 -7.50297 DNA1 4 0.00000 123 4 GUA H3' 9.09382 -2.00645 -8.50463 DNA1 4 0.00000 124 4 GUA O3' 8.84979 -3.86207 -7.48414 DNA1 4 0.00000 125 5 ADE P 7.31475 -4.29287 -7.45506 DNA1 5 0.00000 126 5 ADE O1P 7.14227 -5.57355 -8.16760 DNA1 5 0.00000 127 5 ADE O2P 6.48221 -3.16467 -7.93852 DNA1 5 0.00000 128 5 ADE O5' 7.07226 -4.49934 -5.89389 DNA1 5 0.00000 129 5 ADE C5' 8.04132 -5.26233 -5.13167 DNA1 5 0.00000 130 5 ADE H5' 8.72927 -4.56701 -4.60482 DNA1 5 0.00000 131 5 ADE H5'' 8.49870 -6.03719 -5.78336 DNA1 5 0.00000 132 5 ADE C4' 7.33942 -6.03101 -4.03547 DNA1 5 0.00000 133 5 ADE H4' 7.97293 -6.86179 -3.65759 DNA1 5 0.00000 134 5 ADE O4' 7.09560 -5.12628 -2.91221 DNA1 5 0.00000 135 5 ADE C1' 5.72222 -4.79222 -2.85505 DNA1 5 0.00000 136 5 ADE H1' 5.34020 -5.24558 -1.91545 DNA1 5 0.00000 137 5 ADE C5 5.40030 -1.25185 -2.12510 DNA1 5 0.00000 138 5 ADE N7 5.54791 -1.18478 -3.49939 DNA1 5 0.00000 139 5 ADE C8 5.66421 -2.42717 -3.86191 DNA1 5 0.00000 140 5 ADE H8 5.78943 -2.80015 -4.87842 DNA1 5 0.00000 141 5 ADE N9 5.61697 -3.30893 -2.81483 DNA1 5 0.00000 142 5 ADE N1 5.12837 -0.66714 0.13613 DNA1 5 0.00000 143 5 ADE C2 5.18683 -1.96898 0.40196 DNA1 5 0.00000 144 5 ADE H2 5.09070 -2.24374 1.45237 DNA1 5 0.00000 145 5 ADE N3 5.34467 -2.98321 -0.42025 DNA1 5 0.00000 146 5 ADE C4 5.44838 -2.54347 -1.68841 DNA1 5 0.00000 147 5 ADE C6 5.23328 -0.25965 -1.13694 DNA1 5 0.00000 148 5 ADE N6 5.17480 1.04263 -1.39998 DNA1 5 0.00000 149 5 ADE H61 5.05301 1.69157 -0.63568 DNA1 5 0.00000 150 5 ADE H62 5.25352 1.35270 -2.35797 DNA1 5 0.00000 151 5 ADE C2' 5.03525 -5.42396 -4.05779 DNA1 5 0.00000 152 5 ADE H2'' 5.04376 -4.69091 -4.89259 DNA1 5 0.00000 153 5 ADE H2' 4.04123 -5.80202 -3.73636 DNA1 5 0.00000 154 5 ADE C3' 5.95920 -6.58836 -4.37563 DNA1 5 0.00000 155 5 ADE H3' 5.88924 -6.79639 -5.46473 DNA1 5 0.00000 156 5 ADE O3' 5.61036 -7.70137 -3.55503 DNA1 5 0.00000 157 6 ADE P 4.07204 -8.04397 -3.31227 DNA1 6 0.00000 158 6 ADE O1P 3.90606 -9.49929 -3.13945 DNA1 6 0.00000 159 6 ADE O2P 3.25827 -7.42021 -4.38373 DNA1 6 0.00000 160 6 ADE O5' 3.79398 -7.29475 -1.93264 DNA1 6 0.00000 161 6 ADE C5' 4.74069 -7.45777 -0.84671 DNA1 6 0.00000 162 6 ADE H5' 5.42199 -6.58080 -0.81386 DNA1 6 0.00000 163 6 ADE H5'' 5.20659 -8.46445 -0.90885 DNA1 6 0.00000 164 6 ADE C4' 4.00956 -7.44086 0.47577 DNA1 6 0.00000 165 6 ADE H4' 4.62949 -7.88680 1.28271 DNA1 6 0.00000 166 6 ADE O4' 3.74766 -6.05042 0.84836 DNA1 6 0.00000 167 6 ADE C1' 2.37578 -5.75674 0.66850 DNA1 6 0.00000 168 6 ADE H1' 1.97007 -5.57507 1.68670 DNA1 6 0.00000 169 6 ADE C5 2.06315 -2.46585 -0.82861 DNA1 6 0.00000 170 6 ADE N7 2.24120 -3.21648 -1.97664 DNA1 6 0.00000 171 6 ADE C8 2.35657 -4.43408 -1.53624 DNA1 6 0.00000 172 6 ADE H8 2.50149 -5.33270 -2.13590 DNA1 6 0.00000 173 6 ADE N9 2.28021 -4.53330 -0.17362 DNA1 6 0.00000 174 6 ADE N1 1.74599 -0.66610 0.65226 DNA1 6 0.00000 175 6 ADE C2 1.78934 -1.56210 1.63340 DNA1 6 0.00000 176 6 ADE H2 1.66853 -1.16818 2.64253 DNA1 6 0.00000 177 6 ADE N3 1.95796 -2.86589 1.56728 DNA1 6 0.00000 178 6 ADE C4 2.09246 -3.25328 0.28489 DNA1 6 0.00000 179 6 ADE C6 1.88160 -1.08324 -0.61467 DNA1 6 0.00000 180 6 ADE N6 1.83810 -0.18341 -1.59427 DNA1 6 0.00000 181 6 ADE H61 1.70424 0.78979 -1.35962 DNA1 6 0.00000 182 6 ADE H62 1.93994 -0.49447 -2.54977 DNA1 6 0.00000 183 6 ADE C2' 1.71082 -6.97984 0.05063 DNA1 6 0.00000 184 6 ADE H2'' 1.74369 -6.87701 -1.05512 DNA1 6 0.00000 185 6 ADE H2' 0.70699 -7.10413 0.51018 DNA1 6 0.00000 186 6 ADE C3' 2.63322 -8.10244 0.49864 DNA1 6 0.00000 187 6 ADE H3' 2.58591 -8.91169 -0.26109 DNA1 6 0.00000 188 6 ADE O3' 2.25859 -8.52282 1.80796 DNA1 6 0.00000 189 7 THY P 0.71293 -8.66810 2.17194 DNA1 7 0.00000 190 7 THY O1P 0.53291 -9.74641 3.16272 DNA1 7 0.00000 191 7 THY O2P -0.07272 -8.79963 0.92094 DNA1 7 0.00000 192 7 THY O5' 0.41010 -7.25365 2.84117 DNA1 7 0.00000 193 7 THY C5' 1.33166 -6.74064 3.83642 DNA1 7 0.00000 194 7 THY H5' 2.01774 -6.00619 3.36293 DNA1 7 0.00000 195 7 THY H5'' 1.79226 -7.58841 4.38728 DNA1 7 0.00000 196 7 THY C4' 0.57193 -5.95558 4.88179 DNA1 7 0.00000 197 7 THY H4' 1.17017 -5.83752 5.81049 DNA1 7 0.00000 198 7 THY O4' 0.31183 -4.61370 4.36001 DNA1 7 0.00000 199 7 THY C1' -1.05367 -4.49129 4.01114 DNA1 7 0.00000 200 7 THY H1' -1.48054 -3.74862 4.71863 DNA1 7 0.00000 201 7 THY N1 -1.12214 -3.99592 2.61002 DNA1 7 0.00000 202 7 THY C6 -0.98978 -4.86334 1.55394 DNA1 7 0.00000 203 7 THY H6 -0.83014 -5.91493 1.79224 DNA1 7 0.00000 204 7 THY C2 -1.32257 -2.64385 2.42776 DNA1 7 0.00000 205 7 THY O2 -1.44166 -1.86414 3.35676 DNA1 7 0.00000 206 7 THY N3 -1.37804 -2.22896 1.11248 DNA1 7 0.00000 207 7 THY H3 -1.53251 -1.16326 0.94358 DNA1 7 0.00000 208 7 THY C4 -1.25846 -3.02192 -0.00415 DNA1 7 0.00000 209 7 THY O4 -1.32664 -2.53450 -1.13912 DNA1 7 0.00000 210 7 THY C5 -1.05627 -4.42118 0.28224 DNA1 7 0.00000 211 7 THY C5M -0.91261 -5.32341 -0.90572 DNA1 7 0.00000 212 7 THY H51 -0.74949 -6.37058 -0.57234 DNA1 7 0.00000 213 7 THY H52 0.00138 -4.97714 -1.43395 DNA1 7 0.00000 214 7 THY H53 -1.74904 -5.35521 -1.63626 DNA1 7 0.00000 215 7 THY C2' -1.71365 -5.84822 4.21559 DNA1 7 0.00000 216 7 THY H2'' -1.65607 -6.41456 3.26151 DNA1 7 0.00000 217 7 THY H2' -2.72808 -5.68569 4.63848 DNA1 7 0.00000 218 7 THY C3' -0.80927 -6.48687 5.25772 DNA1 7 0.00000 219 7 THY H3' -0.84587 -7.58835 5.11726 DNA1 7 0.00000 220 7 THY O3' -1.21538 -6.06132 6.55538 DNA1 7 0.00000 221 8 THY P -2.76962 -5.97620 6.90144 DNA1 8 0.00000 222 8 THY O1P -2.97892 -6.26787 8.33312 DNA1 8 0.00000 223 8 THY O2P -3.52867 -6.82238 5.94915 DNA1 8 0.00000 224 8 THY O5' -3.07699 -4.43967 6.60631 DNA1 8 0.00000 225 8 THY C5' -2.17377 -3.43391 7.13041 DNA1 8 0.00000 226 8 THY H5' -1.47196 -3.11306 6.33114 DNA1 8 0.00000 227 8 THY H5'' -1.73177 -3.79328 8.08425 DNA1 8 0.00000 228 8 THY C4' -2.95055 -2.19102 7.49755 DNA1 8 0.00000 229 8 THY H4' -2.37134 -1.54638 8.19273 DNA1 8 0.00000 230 8 THY O4' -3.18967 -1.41255 6.28185 DNA1 8 0.00000 231 8 THY C1' -4.54631 -1.52813 5.89840 DNA1 8 0.00000 232 8 THY H1' -4.98318 -0.51455 6.02536 DNA1 8 0.00000 233 8 THY N1 -4.58060 -1.95101 4.47243 DNA1 8 0.00000 234 8 THY C6 -4.43135 -3.27213 4.12973 DNA1 8 0.00000 235 8 THY H6 -4.28435 -3.98182 4.94388 DNA1 8 0.00000 236 8 THY C2 -4.76742 -0.96453 3.52624 DNA1 8 0.00000 237 8 THY O2 -4.90123 0.21065 3.81696 DNA1 8 0.00000 238 8 THY N3 -4.79116 -1.40227 2.21652 DNA1 8 0.00000 239 8 THY H3 -4.93429 -0.64010 1.45055 DNA1 8 0.00000 240 8 THY C4 -4.65279 -2.69978 1.78125 DNA1 8 0.00000 241 8 THY O4 -4.69273 -2.97121 0.57541 DNA1 8 0.00000 242 8 THY C5 -4.46688 -3.66196 2.84028 DNA1 8 0.00000 243 8 THY C5M -4.30367 -5.08935 2.41139 DNA1 8 0.00000 244 8 THY H51 -4.15521 -5.74026 3.29943 DNA1 8 0.00000 245 8 THY H52 -3.37598 -5.11262 1.80052 DNA1 8 0.00000 246 8 THY H53 -5.12420 -5.54984 1.82064 DNA1 8 0.00000 247 8 THY C2' -5.22021 -2.51118 6.84685 DNA1 8 0.00000 248 8 THY H2'' -5.14602 -3.52942 6.40868 DNA1 8 0.00000 249 8 THY H2' -6.24237 -2.13833 7.07153 DNA1 8 0.00000 250 8 THY C3' -4.34337 -2.40988 8.08455 DNA1 8 0.00000 251 8 THY H3' -4.38453 -3.38410 8.61701 DNA1 8 0.00000 252 8 THY O3' -4.77477 -1.30482 8.87502 DNA1 8 0.00000 253 9 CYT P -6.33556 -1.04389 9.07080 DNA1 9 0.00000 254 9 CYT O1P -6.57816 -0.44089 10.39646 DNA1 9 0.00000 255 9 CYT O2P -7.07958 -2.29376 8.78172 DNA1 9 0.00000 256 9 CYT O5' -6.62547 0.02355 7.92290 DNA1 9 0.00000 257 9 CYT C5' -5.72680 1.15147 7.77686 DNA1 9 0.00000 258 9 CYT H5' -5.00449 0.94655 6.95797 DNA1 9 0.00000 259 9 CYT H5'' -5.30943 1.42408 8.76974 DNA1 9 0.00000 260 9 CYT C4' -6.50261 2.36854 7.32550 DNA1 9 0.00000 261 9 CYT H4' -5.93498 3.30323 7.52160 DNA1 9 0.00000 262 9 CYT O4' -6.70954 2.28222 5.88032 DNA1 9 0.00000 263 9 CYT C1' -8.05826 1.95385 5.60791 DNA1 9 0.00000 264 9 CYT H1' -8.49049 2.84559 5.10562 DNA1 9 0.00000 265 9 CYT N1 -8.06435 0.77330 4.70153 DNA1 9 0.00000 266 9 CYT C6 -7.91739 -0.48651 5.18459 DNA1 9 0.00000 267 9 CYT H6 -7.79197 -0.58500 6.26287 DNA1 9 0.00000 268 9 CYT C2 -8.22295 1.00165 3.33641 DNA1 9 0.00000 269 9 CYT O2 -8.35631 2.16474 2.93604 DNA1 9 0.00000 270 9 CYT N3 -8.22595 -0.26189 2.50690 DNA1 9 0.00000 271 9 CYT C4 -8.08696 -1.30747 2.96030 DNA1 9 0.00000 272 9 CYT N4 -8.09973 -2.30852 2.09419 DNA1 9 0.00000 273 9 CYT H41 -8.22701 -2.10377 1.11339 DNA1 9 0.00000 274 9 CYT H42 -7.98433 -3.26207 2.40647 DNA1 9 0.00000 275 9 CYT C5 -7.92717 -1.56791 4.35771 DNA1 9 0.00000 276 9 CYT H5 -7.82263 -2.60107 4.68901 DNA1 9 0.00000 277 9 CYT C2' -8.75970 1.71076 6.93736 DNA1 9 0.00000 278 9 CYT H2'' -8.68371 0.62976 7.18227 DNA1 9 0.00000 279 9 CYT H2' -9.78367 2.13767 6.87763 DNA1 9 0.00000 280 9 CYT C3' -7.90941 2.52525 7.89879 DNA1 9 0.00000 281 9 CYT H3' -7.96883 2.04833 8.90045 DNA1 9 0.00000 282 9 CYT O3' -8.35014 3.88067 7.87996 DNA1 9 0.00000 283 10 GUA P -9.91295 4.19615 7.85088 DNA1 10 0.00000 284 10 GUA O1P -10.18017 5.46046 8.56342 DNA1 10 0.00000 285 10 GUA O2P -10.65932 3.00918 8.33434 DNA1 10 0.00000 286 10 GUA O5' -10.17012 4.38402 6.28970 DNA1 10 0.00000 287 10 GUA C5' -9.26047 5.21695 5.52749 DNA1 10 0.00000 288 10 GUA H5' -8.52273 4.57469 5.00064 DNA1 10 0.00000 289 10 GUA H5'' -8.86196 6.02367 6.17918 DNA1 10 0.00000 290 10 GUA C4' -10.01757 5.93131 4.43129 DNA1 10 0.00000 291 10 GUA H4' -9.44758 6.80690 4.05341 DNA1 10 0.00000 292 10 GUA O4' -10.19345 5.01096 3.30803 DNA1 10 0.00000 293 10 GUA C1' -11.53819 4.57573 3.25087 DNA1 10 0.00000 294 10 GUA H1' -11.95286 4.99943 2.31127 DNA1 10 0.00000 295 10 GUA N9 -11.53288 3.08871 3.21064 DNA1 10 0.00000 296 10 GUA C4 -11.64435 2.31989 2.07452 DNA1 10 0.00000 297 10 GUA N3 -11.78216 2.79611 0.80847 DNA1 10 0.00000 298 10 GUA C2 -11.87595 1.82095 -0.09229 DNA1 10 0.00000 299 10 GUA N1 -11.82605 0.48019 0.22833 DNA1 10 0.00000 300 10 GUA H1 -11.89633 -0.19529 -0.54605 DNA1 10 0.00000 301 10 GUA N2 -12.01689 2.11245 -1.38854 DNA1 10 0.00000 302 10 GUA H21 -12.09716 1.45788 -2.15352 DNA1 10 0.00000 303 10 GUA H22 -12.04634 3.09288 -1.62937 DNA1 10 0.00000 304 10 GUA C6 -11.68679 -0.03488 1.52918 DNA1 10 0.00000 305 10 GUA O6 -11.66144 -1.25354 1.69932 DNA1 10 0.00000 306 10 GUA C5 -11.59523 1.00011 2.48703 DNA1 10 0.00000 307 10 GUA N7 -11.45269 0.93444 3.87427 DNA1 10 0.00000 308 10 GUA C8 -11.41929 2.18799 4.24950 DNA1 10 0.00000 309 10 GUA H8 -11.31395 2.56036 5.26849 DNA1 10 0.00000 310 10 GUA C2' -12.27024 5.15464 4.45361 DNA1 10 0.00000 311 10 GUA H2'' -12.20725 4.42426 5.28841 DNA1 10 0.00000 312 10 GUA H2' -13.28961 5.45776 4.13218 DNA1 10 0.00000 313 10 GUA C3' -11.43541 6.38451 4.77144 DNA1 10 0.00000 314 10 GUA H3' -11.52064 6.58676 5.86055 DNA1 10 0.00000 315 10 GUA O3' -11.86603 7.46850 3.95085 DNA1 10 0.00000 316 11 CYT P -13.42556 7.69579 3.70809 DNA1 11 0.00000 317 11 CYT O1P -13.69928 9.13475 3.53527 DNA1 11 0.00000 318 11 CYT O2P -14.19070 7.01326 4.77954 DNA1 11 0.00000 319 11 CYT O5' -13.64715 6.92797 2.32846 DNA1 11 0.00000 320 11 CYT C5' -12.71517 7.16093 1.24252 DNA1 11 0.00000 321 11 CYT H5' -11.97057 6.33703 1.20968 DNA1 11 0.00000 322 11 CYT H5'' -12.32541 8.19946 1.30467 DNA1 11 0.00000 323 11 CYT C4' -13.44303 7.08971 -0.07996 DNA1 11 0.00000 324 11 CYT H4' -12.85796 7.58050 -0.88689 DNA1 11 0.00000 325 11 CYT O4' -13.60083 5.68364 -0.45254 DNA1 11 0.00000 326 11 CYT C1' -14.94708 5.28878 -0.27269 DNA1 11 0.00000 327 11 CYT H1' -15.33815 5.07745 -1.29089 DNA1 11 0.00000 328 11 CYT N1 -14.95143 4.06162 0.56943 DNA1 11 0.00000 329 11 CYT C6 -14.85403 4.13323 1.92036 DNA1 11 0.00000 330 11 CYT H6 -14.76927 5.13089 2.35116 DNA1 11 0.00000 331 11 CYT C2 -15.05575 2.83156 -0.07483 DNA1 11 0.00000 332 11 CYT O2 -15.14488 2.80667 -1.30924 DNA1 11 0.00000 333 11 CYT N3 -15.06185 1.65133 0.86940 DNA1 11 0.00000 334 11 CYT C4 -14.96586 1.76089 2.00812 DNA1 11 0.00000 335 11 CYT N4 -14.97370 0.62725 2.69080 DNA1 11 0.00000 336 11 CYT H41 -15.06095 -0.24454 2.18834 DNA1 11 0.00000 337 11 CYT H42 -14.89390 0.63108 3.69764 DNA1 11 0.00000 338 11 CYT C5 -14.86234 3.01235 2.69266 DNA1 11 0.00000 339 11 CYT H5 -14.79617 3.00996 3.78065 DNA1 11 0.00000 340 11 CYT C2' -15.70113 6.45907 0.34519 DNA1 11 0.00000 341 11 CYT H2'' -15.66071 6.35896 1.45093 DNA1 11 0.00000 342 11 CYT H2' -16.71142 6.50839 -0.11437 DNA1 11 0.00000 343 11 CYT C3' -14.86474 7.64713 -0.10283 DNA1 11 0.00000 344 11 CYT H3' -14.97208 8.45063 0.65690 DNA1 11 0.00000 345 11 CYT O3' -15.26958 8.03850 -1.41215 DNA1 11 0.00000 346 12 GUA P -16.82177 8.06846 -1.77612 DNA1 12 0.00000 347 12 GUA O1P -17.08145 9.13041 -2.76691 DNA1 12 0.00000 348 12 GUA O2P -17.61503 8.14122 -0.52513 DNA1 12 0.00000 349 12 GUA O5' -17.01860 6.63542 -2.44536 DNA1 12 0.00000 350 12 GUA C5' -16.06146 6.19234 -3.44060 DNA1 12 0.00000 351 12 GUA H5' -15.32267 5.51093 -2.96711 DNA1 12 0.00000 352 12 GUA H5'' -15.66515 7.07200 -3.99147 DNA1 12 0.00000 353 12 GUA C4' -16.76072 5.35297 -4.48598 DNA1 12 0.00000 354 12 GUA H4' -16.15536 5.27971 -5.41468 DNA1 12 0.00000 355 12 GUA O4' -16.92033 3.99547 -3.96420 DNA1 12 0.00000 356 12 GUA C1' -18.27295 3.77188 -3.61533 DNA1 12 0.00000 357 12 GUA H1' -18.64343 2.99953 -4.32282 DNA1 12 0.00000 358 12 GUA N9 -18.30441 3.27279 -2.21421 DNA1 12 0.00000 359 12 GUA C4 -18.39534 1.95205 -1.83817 DNA1 12 0.00000 360 12 GUA N3 -18.47601 0.89309 -2.68763 DNA1 12 0.00000 361 12 GUA C2 -18.56290 -0.26727 -2.04199 DNA1 12 0.00000 362 12 GUA N1 -18.55881 -0.37732 -0.66716 DNA1 12 0.00000 363 12 GUA H1 -18.61897 -1.32462 -0.26728 DNA1 12 0.00000 364 12 GUA N2 -18.65036 -1.41263 -2.72533 DNA1 12 0.00000 365 12 GUA H21 -18.72034 -2.34478 -2.34286 DNA1 12 0.00000 366 12 GUA H22 -18.64599 -1.33793 -3.73256 DNA1 12 0.00000 367 12 GUA C6 -18.47893 0.70275 0.22979 DNA1 12 0.00000 368 12 GUA O6 -18.49093 0.48733 1.44080 DNA1 12 0.00000 369 12 GUA C5 -18.39479 1.93708 -0.45478 DNA1 12 0.00000 370 12 GUA N7 -18.30312 3.23825 0.03998 DNA1 12 0.00000 371 12 GUA C8 -18.25081 3.98349 -1.03343 DNA1 12 0.00000 372 12 GUA H8 -18.17196 5.07006 -1.06886 DNA1 12 0.00000 373 12 GUA C2' -19.03199 5.07599 -3.81978 DNA1 12 0.00000 374 12 GUA H2'' -19.01668 5.64504 -2.86570 DNA1 12 0.00000 375 12 GUA H2' -20.03152 4.83849 -4.24268 DNA1 12 0.00000 376 12 GUA C3' -18.17759 5.78011 -4.86191 DNA1 12 0.00000 377 12 GUA H3' -18.29598 6.87581 -4.72145 DNA1 12 0.00000 378 12 GUA O3' -18.55093 5.32554 -6.15957 DNA1 12 0.00000 379 12 GUA H3T -19.48556 5.13559 -6.26908 DNA1 12 0.00000 380 13 CYT H5T -20.64458 -8.24200 3.13650 DNA2 1 0.00000 381 13 CYT O5' -20.12948 -8.18473 2.32843 DNA2 1 0.00000 382 13 CYT C5' -21.06142 -8.41867 1.24312 DNA2 1 0.00000 383 13 CYT H5' -21.80145 -7.59034 1.21964 DNA2 1 0.00000 384 13 CYT H5'' -21.44364 -9.45935 1.31526 DNA2 1 0.00000 385 13 CYT C4' -20.33358 -8.34705 -0.08050 DNA2 1 0.00000 386 13 CYT H4' -20.91774 -8.83775 -0.88815 DNA2 1 0.00000 387 13 CYT O4' -20.17575 -6.94149 -0.45240 DNA2 1 0.00000 388 13 CYT C1' -18.82953 -6.54617 -0.27222 DNA2 1 0.00000 389 13 CYT H1' -18.43839 -6.33412 -1.29024 DNA2 1 0.00000 390 13 CYT N1 -18.82519 -5.31863 0.56945 DNA2 1 0.00000 391 13 CYT C6 -18.92256 -5.39097 1.92125 DNA2 1 0.00000 392 13 CYT H6 -19.00718 -6.38844 2.35251 DNA2 1 0.00000 393 13 CYT C2 -18.72089 -4.08795 -0.07505 DNA2 1 0.00000 394 13 CYT O2 -18.63170 -4.06455 -1.30890 DNA2 1 0.00000 395 13 CYT N3 -18.71479 -2.90782 0.86935 DNA2 1 0.00000 396 13 CYT C4 -18.81075 -3.01818 2.00810 DNA2 1 0.00000 397 13 CYT N4 -18.80292 -1.88439 2.69137 DNA2 1 0.00000 398 13 CYT H41 -18.71572 -1.01244 2.18918 DNA2 1 0.00000 399 13 CYT H42 -18.88267 -1.88855 3.69821 DNA2 1 0.00000 400 13 CYT C5 -18.91427 -4.26963 2.69312 DNA2 1 0.00000 401 13 CYT H5 -18.98046 -4.26692 3.78110 DNA2 1 0.00000 402 13 CYT C2' -18.07548 -7.71629 0.34485 DNA2 1 0.00000 403 13 CYT H2'' -18.11497 -7.61590 1.45060 DNA2 1 0.00000 404 13 CYT H2' -17.06557 -7.76556 -0.11556 DNA2 1 0.00000 405 13 CYT C3' -18.91187 -8.90435 -0.10204 DNA2 1 0.00000 406 13 CYT H3' -18.80482 -9.70696 0.65867 DNA2 1 0.00000 407 13 CYT O3' -18.50704 -9.29530 -1.41163 DNA2 1 0.00000 408 14 GUA P -16.95485 -9.32533 -1.77574 DNA2 2 0.00000 409 14 GUA O1P -16.69516 -10.38758 -2.76658 DNA2 2 0.00000 410 14 GUA O2P -16.16161 -9.39768 -0.52464 DNA2 2 0.00000 411 14 GUA O5' -16.75799 -7.89323 -2.44584 DNA2 2 0.00000 412 14 GUA C5' -17.71512 -7.45039 -3.44082 DNA2 2 0.00000 413 14 GUA H5' -18.45430 -6.76953 -2.96715 DNA2 2 0.00000 414 14 GUA H5'' -18.11092 -8.33007 -3.99203 DNA2 2 0.00000 415 14 GUA C4' -17.01587 -6.61057 -4.48530 DNA2 2 0.00000 416 14 GUA H4' -17.62117 -6.53751 -5.41406 DNA2 2 0.00000 417 14 GUA O4' -16.85626 -5.25322 -3.96395 DNA2 2 0.00000 418 14 GUA C1' -15.50364 -5.02943 -3.61555 DNA2 2 0.00000 419 14 GUA H1' -15.13349 -4.25714 -4.32327 DNA2 2 0.00000 420 14 GUA N9 -15.47219 -4.53038 -2.21454 DNA2 2 0.00000 421 14 GUA C4 -15.38126 -3.20942 -1.83890 DNA2 2 0.00000 422 14 GUA N3 -15.30060 -2.15026 -2.68763 DNA2 2 0.00000 423 14 GUA C2 -15.21372 -0.98949 -2.04253 DNA2 2 0.00000 424 14 GUA N1 -15.21780 -0.87986 -0.66744 DNA2 2 0.00000 425 14 GUA H1 -15.15763 0.06731 -0.26726 DNA2 2 0.00000 426 14 GUA N2 -15.12626 0.15572 -2.72515 DNA2 2 0.00000 427 14 GUA H21 -15.05632 1.08772 -2.34230 DNA2 2 0.00000 428 14 GUA H22 -15.13054 0.08143 -3.73240 DNA2 2 0.00000 429 14 GUA C6 -15.29768 -1.96009 0.22902 DNA2 2 0.00000 430 14 GUA O6 -15.28568 -1.74466 1.44069 DNA2 2 0.00000 431 14 GUA C5 -15.38185 -3.19361 -0.45538 DNA2 2 0.00000 432 14 GUA N7 -15.47349 -4.49533 0.04078 DNA2 2 0.00000 433 14 GUA C8 -15.52578 -5.24140 -1.03344 DNA2 2 0.00000 434 14 GUA H8 -15.60453 -6.32798 -1.06870 DNA2 2 0.00000 435 14 GUA C2' -14.74462 -6.33316 -3.81995 DNA2 2 0.00000 436 14 GUA H2'' -14.75926 -6.90176 -2.86559 DNA2 2 0.00000 437 14 GUA H2' -13.74538 -6.09546 -4.24343 DNA2 2 0.00000 438 14 GUA C3' -15.59900 -7.03792 -4.86105 DNA2 2 0.00000 439 14 GUA H3' -15.48051 -8.13351 -4.71971 DNA2 2 0.00000 440 14 GUA O3' -15.22566 -6.58301 -6.16010 DNA2 2 0.00000 441 15 CYT P -13.68204 -6.38269 -6.50630 DNA2 3 0.00000 442 15 CYT O1P -13.45166 -6.65748 -7.93697 DNA2 3 0.00000 443 15 CYT O2P -12.86220 -7.16976 -5.55358 DNA2 3 0.00000 444 15 CYT O5' -13.48975 -4.82779 -6.21077 DNA2 3 0.00000 445 15 CYT C5' -14.46524 -3.89188 -6.73479 DNA2 3 0.00000 446 15 CYT H5' -15.18913 -3.62438 -5.93557 DNA2 3 0.00000 447 15 CYT H5'' -14.87911 -4.28289 -7.68880 DNA2 3 0.00000 448 15 CYT C4' -13.78304 -2.59423 -7.10154 DNA2 3 0.00000 449 15 CYT H4' -14.40869 -1.99450 -7.79667 DNA2 3 0.00000 450 15 CYT O4' -13.60245 -1.80021 -5.88596 DNA2 3 0.00000 451 15 CYT C1' -12.24099 -1.81416 -5.50273 DNA2 3 0.00000 452 15 CYT H1' -11.88087 -0.77092 -5.63038 DNA2 3 0.00000 453 15 CYT N1 -12.17532 -2.23398 -4.07636 DNA2 3 0.00000 454 15 CYT C6 -12.22668 -3.54259 -3.72348 DNA2 3 0.00000 455 15 CYT H6 -12.32174 -4.26347 -4.53551 DNA2 3 0.00000 456 15 CYT C2 -12.06231 -1.23770 -3.11010 DNA2 3 0.00000 457 15 CYT O2 -12.01629 -0.05451 -3.47108 DNA2 3 0.00000 458 15 CYT N3 -11.99249 -1.76906 -1.69684 DNA2 3 0.00000 459 15 CYT C4 -12.05092 -2.88772 -1.44566 DNA2 3 0.00000 460 15 CYT N4 -11.98983 -3.18492 -0.15756 DNA2 3 0.00000 461 15 CYT H41 -11.89804 -2.43489 0.51261 DNA2 3 0.00000 462 15 CYT H42 -12.03403 -4.14504 0.15277 DNA2 3 0.00000 463 15 CYT C5 -12.16227 -3.92890 -2.41983 DNA2 3 0.00000 464 15 CYT H5 -12.18982 -4.96387 -2.07899 DNA2 3 0.00000 465 15 CYT C2' -11.49585 -2.74480 -6.45069 DNA2 3 0.00000 466 15 CYT H2'' -11.49455 -3.76569 -6.01241 DNA2 3 0.00000 467 15 CYT H2' -10.50405 -2.29737 -6.67532 DNA2 3 0.00000 468 15 CYT C3' -12.37780 -2.70878 -7.68868 DNA2 3 0.00000 469 15 CYT H3' -12.26433 -3.67714 -8.22133 DNA2 3 0.00000 470 15 CYT O3' -12.02972 -1.57533 -8.47958 DNA2 3 0.00000 471 16 GUA P -10.49266 -1.19883 -8.67545 DNA2 4 0.00000 472 16 GUA O1P -10.29556 -0.57973 -10.00009 DNA2 4 0.00000 473 16 GUA O2P -9.65778 -2.38995 -8.38606 DNA2 4 0.00000 474 16 GUA O5' -10.28289 -0.11351 -7.52727 DNA2 4 0.00000 475 16 GUA C5' -11.26295 0.94513 -7.37988 DNA2 4 0.00000 476 16 GUA H5' -11.96678 0.68739 -6.55981 DNA2 4 0.00000 477 16 GUA H5'' -11.70095 1.18580 -8.37213 DNA2 4 0.00000 478 16 GUA C4' -10.57978 2.21680 -6.92995 DNA2 4 0.00000 479 16 GUA H4' -11.21553 3.10660 -7.12591 DNA2 4 0.00000 480 16 GUA O4' -10.36699 2.14582 -5.48419 DNA2 4 0.00000 481 16 GUA C1' -8.99758 1.91831 -5.21173 DNA2 4 0.00000 482 16 GUA H1' -8.63265 2.83964 -4.70944 DNA2 4 0.00000 483 16 GUA N9 -8.90377 0.74222 -4.30551 DNA2 4 0.00000 484 16 GUA C4 -8.76570 0.79658 -2.93730 DNA2 4 0.00000 485 16 GUA N3 -8.68796 1.93425 -2.19625 DNA2 4 0.00000 486 16 GUA C2 -8.54850 1.68257 -0.89700 DNA2 4 0.00000 487 16 GUA N1 -8.50113 0.40995 -0.36739 DNA2 4 0.00000 488 16 GUA H1 -8.40256 0.32512 0.65437 DNA2 4 0.00000 489 16 GUA N2 -8.45589 2.68931 -0.02273 DNA2 4 0.00000 490 16 GUA H21 -8.34850 2.61657 0.97891 DNA2 4 0.00000 491 16 GUA H22 -8.49780 3.62330 -0.40483 DNA2 4 0.00000 492 16 GUA C6 -8.57694 -0.77937 -1.11386 DNA2 4 0.00000 493 16 GUA O6 -8.51659 -1.86321 -0.53531 DNA2 4 0.00000 494 16 GUA C5 -8.71693 -0.51355 -2.49554 DNA2 4 0.00000 495 16 GUA N7 -8.82442 -1.38947 -3.57602 DNA2 4 0.00000 496 16 GUA C8 -8.93380 -0.60167 -4.61416 DNA2 4 0.00000 497 16 GUA H8 -9.04173 -0.90685 -5.65499 DNA2 4 0.00000 498 16 GUA C2' -8.28000 1.72785 -6.54118 DNA2 4 0.00000 499 16 GUA H2'' -8.27616 0.64430 -6.78661 DNA2 4 0.00000 500 16 GUA H2' -7.29028 2.22906 -6.48151 DNA2 4 0.00000 501 16 GUA C3' -9.18853 2.47806 -7.50220 DNA2 4 0.00000 502 16 GUA H3' -9.09343 2.00795 -8.50433 DNA2 4 0.00000 503 16 GUA O3' -8.84977 3.86185 -7.48441 DNA2 4 0.00000 504 17 ADE P -7.31473 4.29253 -7.45548 DNA2 5 0.00000 505 17 ADE O1P -7.14227 5.57376 -8.16771 DNA2 5 0.00000 506 17 ADE O2P -6.48219 3.16445 -7.93854 DNA2 5 0.00000 507 17 ADE O5' -7.07225 4.49905 -5.89310 DNA2 5 0.00000 508 17 ADE C5' -8.04130 5.26220 -5.13114 DNA2 5 0.00000 509 17 ADE H5' -8.72919 4.56700 -4.60404 DNA2 5 0.00000 510 17 ADE H5'' -8.49877 6.03680 -5.78309 DNA2 5 0.00000 511 17 ADE C4' -7.33941 6.03077 -4.03589 DNA2 5 0.00000 512 17 ADE H4' -7.97353 6.86133 -3.65856 DNA2 5 0.00000 513 17 ADE O4' -7.09559 5.12618 -2.91189 DNA2 5 0.00000 514 17 ADE C1' -5.72222 4.79225 -2.85523 DNA2 5 0.00000 515 17 ADE H1' -5.33995 5.24558 -1.91572 DNA2 5 0.00000 516 17 ADE C5 -5.40030 1.25186 -2.12542 DNA2 5 0.00000 517 17 ADE N7 -5.54788 1.18404 -3.49943 DNA2 5 0.00000 518 17 ADE C8 -5.66420 2.42703 -3.86081 DNA2 5 0.00000 519 17 ADE H8 -5.78962 2.80098 -4.87694 DNA2 5 0.00000 520 17 ADE N9 -5.61697 3.30878 -2.81525 DNA2 5 0.00000 521 17 ADE N1 -5.12838 0.66766 0.13647 DNA2 5 0.00000 522 17 ADE C2 -5.18684 1.96917 0.40190 DNA2 5 0.00000 523 17 ADE H2 -5.09069 2.24364 1.45239 DNA2 5 0.00000 524 17 ADE N3 -5.34471 2.98422 -0.42049 DNA2 5 0.00000 525 17 ADE C4 -5.44839 2.54376 -1.68801 DNA2 5 0.00000 526 17 ADE C6 -5.23329 0.25988 -1.13695 DNA2 5 0.00000 527 17 ADE N6 -5.17477 -1.04339 -1.39996 DNA2 5 0.00000 528 17 ADE H61 -5.05302 -1.69220 -0.63555 DNA2 5 0.00000 529 17 ADE H62 -5.25346 -1.35361 -2.35791 DNA2 5 0.00000 530 17 ADE C2' -5.03526 5.42443 -4.05878 DNA2 5 0.00000 531 17 ADE H2'' -5.04426 4.69156 -4.89373 DNA2 5 0.00000 532 17 ADE H2' -4.04104 5.80225 -3.73770 DNA2 5 0.00000 533 17 ADE C3' -5.95923 6.58919 -4.37602 DNA2 5 0.00000 534 17 ADE H3' -5.88957 6.79793 -5.46501 DNA2 5 0.00000 535 17 ADE O3' -5.61034 7.70094 -3.55481 DNA2 5 0.00000 536 18 ADE P -4.07200 8.04312 -3.31210 DNA2 6 0.00000 537 18 ADE O1P -3.90608 9.50008 -3.14011 DNA2 6 0.00000 538 18 ADE O2P -3.25828 7.42059 -4.38432 DNA2 6 0.00000 539 18 ADE O5' -3.79395 7.29421 -1.93262 DNA2 6 0.00000 540 18 ADE C5' -4.74071 7.45822 -0.84732 DNA2 6 0.00000 541 18 ADE H5' -5.42277 6.58184 -0.81456 DNA2 6 0.00000 542 18 ADE H5'' -5.20571 8.46529 -0.90983 DNA2 6 0.00000 543 18 ADE C4' -4.00956 7.44091 0.47631 DNA2 6 0.00000 544 18 ADE H4' -4.62858 7.88682 1.28395 DNA2 6 0.00000 545 18 ADE O4' -3.74768 6.05097 0.84820 DNA2 6 0.00000 546 18 ADE C1' -2.37579 5.75682 0.66802 DNA2 6 0.00000 547 18 ADE H1' -1.96997 5.57444 1.68604 DNA2 6 0.00000 548 18 ADE C5 -2.06314 2.46565 -0.82881 DNA2 6 0.00000 549 18 ADE N7 -2.24119 3.21641 -1.97604 DNA2 6 0.00000 550 18 ADE C8 -2.35656 4.43378 -1.53653 DNA2 6 0.00000 551 18 ADE H8 -2.50143 5.33205 -2.13673 DNA2 6 0.00000 552 18 ADE N9 -2.28020 4.53300 -0.17364 DNA2 6 0.00000 553 18 ADE N1 -1.74596 0.66551 0.65287 DNA2 6 0.00000 554 18 ADE C2 -1.78935 1.56210 1.63255 DNA2 6 0.00000 555 18 ADE H2 -1.66823 1.16776 2.64147 DNA2 6 0.00000 556 18 ADE N3 -1.95793 2.86509 1.56706 DNA2 6 0.00000 557 18 ADE C4 -2.09245 3.25292 0.28495 DNA2 6 0.00000 558 18 ADE C6 -1.88158 1.08274 -0.61529 DNA2 6 0.00000 559 18 ADE N6 -1.83809 0.18335 -1.59452 DNA2 6 0.00000 560 18 ADE H61 -1.70429 -0.78987 -1.35992 DNA2 6 0.00000 561 18 ADE H62 -1.93988 0.49448 -2.55000 DNA2 6 0.00000 562 18 ADE C2' -1.71082 6.97977 0.05096 DNA2 6 0.00000 563 18 ADE H2'' -1.74273 6.87672 -1.05479 DNA2 6 0.00000 564 18 ADE H2' -0.70737 7.10398 0.51137 DNA2 6 0.00000 565 18 ADE C3' -2.63321 8.10236 0.49785 DNA2 6 0.00000 566 18 ADE H3' -2.58614 8.91070 -0.26286 DNA2 6 0.00000 567 18 ADE O3' -2.25858 8.52233 1.80744 DNA2 6 0.00000 568 19 THY P -0.71291 8.66766 2.17155 DNA2 7 0.00000 569 19 THY O1P -0.53291 9.74628 3.16239 DNA2 7 0.00000 570 19 THY O2P 0.07275 8.79878 0.92046 DNA2 7 0.00000 571 19 THY O5' -0.41012 7.25416 2.84165 DNA2 7 0.00000 572 19 THY C5' -1.33169 6.74139 3.83663 DNA2 7 0.00000 573 19 THY H5' -2.01820 6.00746 3.36295 DNA2 7 0.00000 574 19 THY H5'' -1.79179 7.58921 4.38783 DNA2 7 0.00000 575 19 THY C4' -0.57194 5.95588 4.88111 DNA2 7 0.00000 576 19 THY H4' -1.17014 5.83802 5.80987 DNA2 7 0.00000 577 19 THY O4' -0.31185 4.61415 4.35976 DNA2 7 0.00000 578 19 THY C1' 1.05365 4.49155 4.01136 DNA2 7 0.00000 579 19 THY H1' 1.48019 3.74891 4.71908 DNA2 7 0.00000 580 19 THY N1 1.12212 3.99621 2.61035 DNA2 7 0.00000 581 19 THY C6 0.98978 4.86334 1.55379 DNA2 7 0.00000 582 19 THY H6 0.83010 5.91487 1.79229 DNA2 7 0.00000 583 19 THY C2 1.32258 2.64360 2.42758 DNA2 7 0.00000 584 19 THY O2 1.44166 1.86391 3.35639 DNA2 7 0.00000 585 19 THY N3 1.37805 2.22875 1.11256 DNA2 7 0.00000 586 19 THY H3 1.53249 1.16300 0.94393 DNA2 7 0.00000 587 19 THY C4 1.25845 3.02216 -0.00528 DNA2 7 0.00000 588 19 THY O4 1.32666 2.53408 -1.13896 DNA2 7 0.00000 589 19 THY C5 1.05627 4.42133 0.28179 DNA2 7 0.00000 590 19 THY C5M 0.91263 5.32306 -0.90631 DNA2 7 0.00000 591 19 THY H51 0.74942 6.37033 -0.57328 DNA2 7 0.00000 592 19 THY H52 -0.00133 4.97657 -1.43448 DNA2 7 0.00000 593 19 THY H53 1.74909 5.35468 -1.63683 DNA2 7 0.00000 594 19 THY C2' 1.71365 5.84810 4.21576 DNA2 7 0.00000 595 19 THY H2'' 1.65678 6.41403 3.26140 DNA2 7 0.00000 596 19 THY H2' 2.72780 5.68534 4.63924 DNA2 7 0.00000 597 19 THY C3' 0.80924 6.48739 5.25686 DNA2 7 0.00000 598 19 THY H3' 0.84595 7.58875 5.11553 DNA2 7 0.00000 599 19 THY O3' 1.21536 6.06149 6.55591 DNA2 7 0.00000 600 20 THY P 2.76960 5.97648 6.90212 DNA2 8 0.00000 601 20 THY O1P 2.97891 6.26764 8.33278 DNA2 8 0.00000 602 20 THY O2P 3.52866 6.82233 5.94940 DNA2 8 0.00000 603 20 THY O5' 3.07696 4.44019 6.60658 DNA2 8 0.00000 604 20 THY C5' 2.17375 3.43434 7.13060 DNA2 8 0.00000 605 20 THY H5' 1.47175 3.11377 6.33138 DNA2 8 0.00000 606 20 THY H5'' 1.73196 3.79350 8.08462 DNA2 8 0.00000 607 20 THY C4' 2.95054 2.19100 7.49736 DNA2 8 0.00000 608 20 THY H4' 2.37120 1.54641 8.19248 DNA2 8 0.00000 609 20 THY O4' 3.18966 1.41260 6.28177 DNA2 8 0.00000 610 20 THY C1' 4.54631 1.52773 5.89855 DNA2 8 0.00000 611 20 THY H1' 4.98299 0.51415 6.02619 DNA2 8 0.00000 612 20 THY N1 4.58058 1.95128 4.47217 DNA2 8 0.00000 613 20 THY C6 4.43135 3.27199 4.12980 DNA2 8 0.00000 614 20 THY H6 4.28435 3.98166 4.94396 DNA2 8 0.00000 615 20 THY C2 4.76740 0.96506 3.52614 DNA2 8 0.00000 616 20 THY O2 4.90124 -0.21110 3.81691 DNA2 8 0.00000 617 20 THY N3 4.79117 1.40181 2.21717 DNA2 8 0.00000 618 20 THY H3 4.93432 0.63926 1.45158 DNA2 8 0.00000 619 20 THY C4 4.65280 2.69948 1.78114 DNA2 8 0.00000 620 20 THY O4 4.69272 2.97128 0.57570 DNA2 8 0.00000 621 20 THY C5 4.46687 3.66203 2.83975 DNA2 8 0.00000 622 20 THY C5M 4.30368 5.08901 2.41174 DNA2 8 0.00000 623 20 THY H51 4.15528 5.73948 3.30010 DNA2 8 0.00000 624 20 THY H52 3.37594 5.11255 1.80095 DNA2 8 0.00000 625 20 THY H53 5.12416 5.54979 1.82114 DNA2 8 0.00000 626 20 THY C2' 5.22020 2.51119 6.84651 DNA2 8 0.00000 627 20 THY H2'' 5.14560 3.52936 6.40822 DNA2 8 0.00000 628 20 THY H2' 6.24252 2.13874 7.07114 DNA2 8 0.00000 629 20 THY C3' 4.34337 2.40970 8.08449 DNA2 8 0.00000 630 20 THY H3' 4.38453 3.38382 8.61715 DNA2 8 0.00000 631 20 THY O3' 4.77475 1.30527 8.87540 DNA2 8 0.00000 632 21 CYT P 6.33554 1.04409 9.07127 DNA2 9 0.00000 633 21 CYT O1P 6.57813 0.44135 10.39591 DNA2 9 0.00000 634 21 CYT O2P 7.07956 2.29397 8.78188 DNA2 9 0.00000 635 21 CYT O5' 6.62542 -0.02264 7.92309 DNA2 9 0.00000 636 21 CYT C5' 5.72678 -1.15121 7.77570 DNA2 9 0.00000 637 21 CYT H5' 5.00574 -0.94651 6.95563 DNA2 9 0.00000 638 21 CYT H5'' 5.30788 -1.42378 8.76795 DNA2 9 0.00000 639 21 CYT C4' 6.50260 -2.36857 7.32577 DNA2 9 0.00000 640 21 CYT H4' 5.93476 -3.30317 7.52173 DNA2 9 0.00000 641 21 CYT O4' 6.70952 -2.28197 5.88000 DNA2 9 0.00000 642 21 CYT C1' 8.05823 -1.95328 5.60755 DNA2 9 0.00000 643 21 CYT H1' 8.49065 -2.84493 5.10526 DNA2 9 0.00000 644 21 CYT N1 8.06435 -0.77347 4.70133 DNA2 9 0.00000 645 21 CYT C6 7.91737 0.48681 5.18397 DNA2 9 0.00000 646 21 CYT H6 7.79189 0.58505 6.26226 DNA2 9 0.00000 647 21 CYT C2 8.22293 -1.00109 3.33652 DNA2 9 0.00000 648 21 CYT O2 8.35629 -2.16436 2.93581 DNA2 9 0.00000 649 21 CYT N3 8.22595 0.26186 2.50805 DNA2 9 0.00000 650 21 CYT C4 8.08698 1.30700 2.96036 DNA2 9 0.00000 651 21 CYT N4 8.09973 2.30852 2.09386 DNA2 9 0.00000 652 21 CYT H41 8.22711 2.10381 1.11307 DNA2 9 0.00000 653 21 CYT H42 7.98421 3.26206 2.40615 DNA2 9 0.00000 654 21 CYT C5 7.92717 1.56770 4.35787 DNA2 9 0.00000 655 21 CYT H5 7.82270 2.60092 4.68902 DNA2 9 0.00000 656 21 CYT C2' 8.75967 -1.71000 6.93700 DNA2 9 0.00000 657 21 CYT H2'' 8.68294 -0.62917 7.18243 DNA2 9 0.00000 658 21 CYT H2' 9.78391 -2.13624 6.87734 DNA2 9 0.00000 659 21 CYT C3' 7.90942 -2.52568 7.89802 DNA2 9 0.00000 660 21 CYT H3' 7.96931 -2.04980 8.90015 DNA2 9 0.00000 661 21 CYT O3' 8.35012 -3.88045 7.88023 DNA2 9 0.00000 662 22 GUA P 9.91293 -4.19582 7.85130 DNA2 10 0.00000 663 22 GUA O1P 10.18017 -5.46068 8.56354 DNA2 10 0.00000 664 22 GUA O2P 10.65930 -3.00897 8.33436 DNA2 10 0.00000 665 22 GUA O5' 10.17010 -4.38374 6.28892 DNA2 10 0.00000 666 22 GUA C5' 9.26046 -5.21683 5.52696 DNA2 10 0.00000 667 22 GUA H5' 8.52280 -4.57469 4.99986 DNA2 10 0.00000 668 22 GUA H5'' 8.86185 -6.02329 6.17891 DNA2 10 0.00000 669 22 GUA C4' 10.01755 -5.93108 4.43171 DNA2 10 0.00000 670 22 GUA H4' 9.44694 -6.80649 4.05438 DNA2 10 0.00000 671 22 GUA O4' 10.19345 -5.01087 3.30771 DNA2 10 0.00000 672 22 GUA C1' 11.53819 -4.57577 3.25106 DNA2 10 0.00000 673 22 GUA H1' 11.95311 -4.99942 2.31154 DNA2 10 0.00000 674 22 GUA N9 11.53287 -3.08857 3.21107 DNA2 10 0.00000 675 22 GUA C4 11.64434 -2.31968 2.07413 DNA2 10 0.00000 676 22 GUA N3 11.78216 -2.79596 0.80869 DNA2 10 0.00000 677 22 GUA C2 11.87596 -1.82116 -0.09176 DNA2 10 0.00000 678 22 GUA N1 11.82603 -0.47988 0.22829 DNA2 10 0.00000 679 22 GUA H1 11.89630 0.19523 -0.54643 DNA2 10 0.00000 680 22 GUA N2 12.01690 -2.11246 -1.38861 DNA2 10 0.00000 681 22 GUA H21 12.09717 -1.45770 -2.15342 DNA2 10 0.00000 682 22 GUA H22 12.04628 -3.09283 -1.62968 DNA2 10 0.00000 683 22 GUA C6 11.68679 0.03492 1.52914 DNA2 10 0.00000 684 22 GUA O6 11.66143 1.25375 1.69905 DNA2 10 0.00000 685 22 GUA C5 11.59523 -1.00016 2.48712 DNA2 10 0.00000 686 22 GUA N7 11.45269 -0.93453 3.87480 DNA2 10 0.00000 687 22 GUA C8 11.41927 -2.18750 4.24905 DNA2 10 0.00000 688 22 GUA H8 11.31379 -2.56047 5.26781 DNA2 10 0.00000 689 22 GUA C2' 12.27025 -5.15512 4.45460 DNA2 10 0.00000 690 22 GUA H2'' 12.20679 -4.42495 5.28955 DNA2 10 0.00000 691 22 GUA H2' 13.28981 -5.45798 4.13353 DNA2 10 0.00000 692 22 GUA C3' 11.43543 -6.38535 4.77185 DNA2 10 0.00000 693 22 GUA H3' 11.52041 -6.58833 5.86083 DNA2 10 0.00000 694 22 GUA O3' 11.86601 -7.46808 3.95063 DNA2 10 0.00000 695 23 CYT P 13.42553 -7.69495 3.70793 DNA2 11 0.00000 696 23 CYT O1P 13.69930 -9.13554 3.53594 DNA2 11 0.00000 697 23 CYT O2P 14.19071 -7.01365 4.78014 DNA2 11 0.00000 698 23 CYT O5' 13.64713 -6.92744 2.32844 DNA2 11 0.00000 699 23 CYT C5' 12.71519 -7.16138 1.24314 DNA2 11 0.00000 700 23 CYT H5' 11.96986 -6.33814 1.21038 DNA2 11 0.00000 701 23 CYT H5'' 12.32634 -8.20023 1.30565 DNA2 11 0.00000 702 23 CYT C4' 13.44303 -7.08976 -0.08048 DNA2 11 0.00000 703 23 CYT H4' 12.85887 -7.58047 -0.88813 DNA2 11 0.00000 704 23 CYT O4' 13.60085 -5.68421 -0.45238 DNA2 11 0.00000 705 23 CYT C1' 14.94708 -5.28888 -0.27220 DNA2 11 0.00000 706 23 CYT H1' 15.33822 -5.07683 -1.29022 DNA2 11 0.00000 707 23 CYT N1 14.95142 -4.06134 0.56947 DNA2 11 0.00000 708 23 CYT C6 14.85404 -4.13368 1.92127 DNA2 11 0.00000 709 23 CYT H6 14.76943 -5.13116 2.35253 DNA2 11 0.00000 710 23 CYT C2 15.05571 -2.83066 -0.07503 DNA2 11 0.00000 711 23 CYT O2 15.14491 -2.80727 -1.30888 DNA2 11 0.00000 712 23 CYT N3 15.06182 -1.65053 0.86937 DNA2 11 0.00000 713 23 CYT C4 14.96586 -1.76089 2.00812 DNA2 11 0.00000 714 23 CYT N4 14.97369 -0.62710 2.69139 DNA2 11 0.00000 715 23 CYT H41 15.06088 0.24485 2.18920 DNA2 11 0.00000 716 23 CYT H42 14.89393 -0.63126 3.69823 DNA2 11 0.00000 717 23 CYT C5 14.86234 -3.01234 2.69314 DNA2 11 0.00000 718 23 CYT H5 14.79615 -3.00963 3.78112 DNA2 11 0.00000 719 23 CYT C2' 15.70113 -6.45900 0.34487 DNA2 11 0.00000 720 23 CYT H2'' 15.66164 -6.35861 1.45062 DNA2 11 0.00000 721 23 CYT H2' 16.71104 -6.50827 -0.11554 DNA2 11 0.00000 722 23 CYT C3' 14.86474 -7.64706 -0.10202 DNA2 11 0.00000 723 23 CYT H3' 14.97178 -8.44967 0.65869 DNA2 11 0.00000 724 23 CYT O3' 15.26957 -8.03801 -1.41161 DNA2 11 0.00000 725 24 GUA P 16.82176 -8.06804 -1.77572 DNA2 12 0.00000 726 24 GUA O1P 17.08145 -9.13029 -2.76656 DNA2 12 0.00000 727 24 GUA O2P 17.61500 -8.14039 -0.52463 DNA2 12 0.00000 728 24 GUA O5' 17.01862 -6.63594 -2.44582 DNA2 12 0.00000 729 24 GUA C5' 16.06149 -6.19310 -3.44080 DNA2 12 0.00000 730 24 GUA H5' 15.32231 -5.51224 -2.96713 DNA2 12 0.00000 731 24 GUA H5'' 15.66569 -7.07278 -3.99201 DNA2 12 0.00000 732 24 GUA C4' 16.76073 -5.35328 -4.48528 DNA2 12 0.00000 733 24 GUA H4' 16.15543 -5.28022 -5.41404 DNA2 12 0.00000 734 24 GUA O4' 16.92035 -3.99593 -3.96393 DNA2 12 0.00000 735 24 GUA C1' 18.27296 -3.77215 -3.61553 DNA2 12 0.00000 736 24 GUA H1' 18.64311 -2.99985 -4.32325 DNA2 12 0.00000 737 24 GUA N9 18.30442 -3.27309 -2.21452 DNA2 12 0.00000 738 24 GUA C4 18.39535 -1.95213 -1.83888 DNA2 12 0.00000 739 24 GUA N3 18.47601 -0.89297 -2.68761 DNA2 12 0.00000 740 24 GUA C2 18.56289 0.26780 -2.04251 DNA2 12 0.00000 741 24 GUA N1 18.55881 0.37742 -0.66742 DNA2 12 0.00000 742 24 GUA H1 18.61898 1.32460 -0.26724 DNA2 12 0.00000 743 24 GUA N2 18.65035 1.41300 -2.72513 DNA2 12 0.00000 744 24 GUA H21 18.72029 2.34501 -2.34228 DNA2 12 0.00000 745 24 GUA H22 18.64607 1.33872 -3.73238 DNA2 12 0.00000 746 24 GUA C6 18.47893 -0.70280 0.22904 DNA2 12 0.00000 747 24 GUA O6 18.49093 -0.48737 1.44071 DNA2 12 0.00000 748 24 GUA C5 18.39476 -1.93632 -0.45536 DNA2 12 0.00000 749 24 GUA N7 18.30312 -3.23805 0.04080 DNA2 12 0.00000 750 24 GUA C8 18.25083 -3.98411 -1.03342 DNA2 12 0.00000 751 24 GUA H8 18.17208 -5.07069 -1.06868 DNA2 12 0.00000 752 24 GUA C2' 19.03199 -5.07587 -3.81993 DNA2 12 0.00000 753 24 GUA H2'' 19.01735 -5.64447 -2.86557 DNA2 12 0.00000 754 24 GUA H2' 20.03123 -4.83817 -4.24341 DNA2 12 0.00000 755 24 GUA C3' 18.17761 -5.78064 -4.86103 DNA2 12 0.00000 756 24 GUA H3' 18.29609 -6.87622 -4.71970 DNA2 12 0.00000 757 24 GUA O3' 18.55095 -5.32572 -6.16008 DNA2 12 0.00000 758 24 GUA H3T 19.48553 -5.13572 -6.26985 DNA2 12 0.00000 * 5'-CGCGAATTCGCG-3' GENERATED COORDINATES, ALL-HYDROGEN * |||||||||||| IN A 60X36X36 CUBE OF SODIUM/WATER * 3'-GCGCTTAAGCGC-5' 1.6 A ATOM DELETE * TOP_ALL22_NA_B6F_NEWAT.INP * PAR_ALL22_NA_B6F_NT1.INP * DATE: 2/ 8/97 16:45:41 CREATED BY USER: nicolas * 8070 1 1 CYT H5T 20.64489 8.24226 3.13636 DNA1 1 0.00000 2 1 CYT O5' 20.12946 8.18526 2.32848 DNA1 1 0.00000 3 1 CYT C5' 21.06144 8.41821 1.24254 DNA1 1 0.00000 4 1 CYT H5' 21.80074 7.58924 1.21897 DNA1 1 0.00000 5 1 CYT H5'' 21.44458 9.45858 1.31432 DNA1 1 0.00000 6 1 CYT C4' 20.33358 8.34699 -0.07994 DNA1 1 0.00000 7 1 CYT H4' 20.91865 8.83779 -0.88687 DNA1 1 0.00000 8 1 CYT O4' 20.17578 6.94093 -0.45253 DNA1 1 0.00000 9 1 CYT C1' 18.82953 6.54607 -0.27267 DNA1 1 0.00000 10 1 CYT H1' 18.43845 6.33474 -1.29087 DNA1 1 0.00000 11 1 CYT N1 18.82518 5.31891 0.56945 DNA1 1 0.00000 12 1 CYT C6 18.92258 5.39052 1.92038 DNA1 1 0.00000 13 1 CYT H6 19.00734 6.38817 2.35118 DNA1 1 0.00000 14 1 CYT C2 18.72086 4.08885 -0.07481 DNA1 1 0.00000 15 1 CYT O2 18.63172 4.06396 -1.30922 DNA1 1 0.00000 16 1 CYT N3 18.71476 2.90862 0.86942 DNA1 1 0.00000 17 1 CYT C4 18.81075 3.01817 2.00814 DNA1 1 0.00000 18 1 CYT N4 18.80291 1.88454 2.69082 DNA1 1 0.00000 19 1 CYT H41 18.71566 1.01275 2.18836 DNA1 1 0.00000 20 1 CYT H42 18.88271 1.88837 3.69766 DNA1 1 0.00000 21 1 CYT C5 18.91427 4.26963 2.69268 DNA1 1 0.00000 22 1 CYT H5 18.98044 4.26724 3.78067 DNA1 1 0.00000 23 1 CYT C2' 18.07548 7.71636 0.34521 DNA1 1 0.00000 24 1 CYT H2'' 18.11590 7.61625 1.45095 DNA1 1 0.00000 25 1 CYT H2' 17.06518 7.76567 -0.11435 DNA1 1 0.00000 26 1 CYT C3' 18.91186 8.90442 -0.10281 DNA1 1 0.00000 27 1 CYT H3' 18.80453 9.70792 0.65692 DNA1 1 0.00000 28 1 CYT O3' 18.50703 9.29579 -1.41213 DNA1 1 0.00000 29 2 GUA P 16.95484 9.32575 -1.77611 DNA1 2 0.00000 30 2 GUA O1P 16.69516 10.38770 -2.76689 DNA1 2 0.00000 31 2 GUA O2P 16.16158 9.39851 -0.52511 DNA1 2 0.00000 32 2 GUA O5' 16.75801 7.89270 -2.44534 DNA1 2 0.00000 33 2 GUA C5' 17.71515 7.44963 -3.44059 DNA1 2 0.00000 34 2 GUA H5' 18.45394 6.76821 -2.96710 DNA1 2 0.00000 35 2 GUA H5'' 18.11145 8.32929 -3.99145 DNA1 2 0.00000 36 2 GUA C4' 17.01589 6.61026 -4.48596 DNA1 2 0.00000 37 2 GUA H4' 17.62125 6.53699 -5.41466 DNA1 2 0.00000 38 2 GUA O4' 16.85628 5.25275 -3.96418 DNA1 2 0.00000 39 2 GUA C1' 15.50366 5.02916 -3.61531 DNA1 2 0.00000 40 2 GUA H1' 15.13318 4.25681 -4.32280 DNA1 2 0.00000 41 2 GUA N9 15.47220 4.53008 -2.21419 DNA1 2 0.00000 42 2 GUA C4 15.38127 3.20934 -1.83815 DNA1 2 0.00000 43 2 GUA N3 15.30060 2.15038 -2.68761 DNA1 2 0.00000 44 2 GUA C2 15.21370 0.99002 -2.04197 DNA1 2 0.00000 45 2 GUA N1 15.21780 0.87997 -0.66714 DNA1 2 0.00000 46 2 GUA H1 15.15764 -0.06733 -0.26727 DNA1 2 0.00000 47 2 GUA N2 15.12625 -0.15534 -2.72531 DNA1 2 0.00000 48 2 GUA H21 15.05627 -1.08750 -2.34284 DNA1 2 0.00000 49 2 GUA H22 15.13061 -0.08064 -3.73254 DNA1 2 0.00000 50 2 GUA C6 15.29768 1.96004 0.22981 DNA1 2 0.00000 51 2 GUA O6 15.28568 1.74462 1.44081 DNA1 2 0.00000 52 2 GUA C5 15.38182 3.19437 -0.45476 DNA1 2 0.00000 53 2 GUA N7 15.47348 4.49554 0.04000 DNA1 2 0.00000 54 2 GUA C8 15.52580 5.24078 -1.03341 DNA1 2 0.00000 55 2 GUA H8 15.60465 6.32735 -1.06884 DNA1 2 0.00000 56 2 GUA C2' 14.74462 6.33328 -3.81976 DNA1 2 0.00000 57 2 GUA H2'' 14.75993 6.90233 -2.86568 DNA1 2 0.00000 58 2 GUA H2' 13.74509 6.09578 -4.24266 DNA1 2 0.00000 59 2 GUA C3' 15.59902 7.03739 -4.86189 DNA1 2 0.00000 60 2 GUA H3' 15.48063 8.13310 -4.72143 DNA1 2 0.00000 61 2 GUA O3' 15.22567 6.58283 -6.15955 DNA1 2 0.00000 62 3 CYT P 13.68206 6.38240 -6.50562 DNA1 3 0.00000 63 3 CYT O1P 13.45166 6.65770 -7.93729 DNA1 3 0.00000 64 3 CYT O2P 12.86220 7.16980 -5.55333 DNA1 3 0.00000 65 3 CYT O5' 13.48978 4.82727 -6.21048 DNA1 3 0.00000 66 3 CYT C5' 14.46526 3.89144 -6.73459 DNA1 3 0.00000 67 3 CYT H5' 15.18899 3.62366 -5.93532 DNA1 3 0.00000 68 3 CYT H5'' 14.87933 4.28268 -7.68842 DNA1 3 0.00000 69 3 CYT C4' 13.78304 2.59424 -7.10172 DNA1 3 0.00000 70 3 CYT H4' 14.40857 1.99445 -7.79691 DNA1 3 0.00000 71 3 CYT O4' 13.60246 1.80015 -5.88603 DNA1 3 0.00000 72 3 CYT C1' 12.24098 1.81455 -5.50257 DNA1 3 0.00000 73 3 CYT H1' 11.88066 0.77130 -5.62954 DNA1 3 0.00000 74 3 CYT N1 12.17534 2.23371 -4.07661 DNA1 3 0.00000 75 3 CYT C6 12.22666 3.54324 -3.72302 DNA1 3 0.00000 76 3 CYT H6 12.32171 4.26414 -4.53504 DNA1 3 0.00000 77 3 CYT C2 12.06233 1.23719 -3.10983 DNA1 3 0.00000 78 3 CYT O2 12.01628 0.05483 -3.47135 DNA1 3 0.00000 79 3 CYT N3 11.99248 1.76948 -1.69679 DNA1 3 0.00000 80 3 CYT C4 12.05091 2.88817 -1.44611 DNA1 3 0.00000 81 3 CYT N4 11.98983 3.18471 -0.15750 DNA1 3 0.00000 82 3 CYT H41 11.89815 2.43430 0.51226 DNA1 3 0.00000 83 3 CYT H42 12.03397 4.14467 0.15337 DNA1 3 0.00000 84 3 CYT C5 12.16225 3.92936 -2.41997 DNA1 3 0.00000 85 3 CYT H5 12.18979 4.96428 -2.07896 DNA1 3 0.00000 86 3 CYT C2' 11.49586 2.74477 -6.45102 DNA1 3 0.00000 87 3 CYT H2'' 11.49414 3.76572 -6.01285 DNA1 3 0.00000 88 3 CYT H2' 10.50424 2.29697 -6.67570 DNA1 3 0.00000 89 3 CYT C3' 12.37780 2.70895 -7.68872 DNA1 3 0.00000 90 3 CYT H3' 12.26433 3.67741 -8.22119 DNA1 3 0.00000 91 3 CYT O3' 12.02975 1.57488 -8.47920 DNA1 3 0.00000 92 4 GUA P 10.49268 1.19863 -8.67498 DNA1 4 0.00000 93 4 GUA O1P 10.29558 0.57926 -10.00064 DNA1 4 0.00000 94 4 GUA O2P 9.65780 2.38973 -8.38590 DNA1 4 0.00000 95 4 GUA O5' 10.28293 0.11259 -7.52707 DNA1 4 0.00000 96 4 GUA C5' 11.26297 -0.94540 -7.38104 DNA1 4 0.00000 97 4 GUA H5' 11.96804 -0.68734 -6.56214 DNA1 4 0.00000 98 4 GUA H5'' 11.69944 -1.18623 -8.37392 DNA1 4 0.00000 99 4 GUA C4' 10.57979 -2.21677 -6.92967 DNA1 4 0.00000 100 4 GUA H4' 11.21534 -3.10668 -7.12578 DNA1 4 0.00000 101 4 GUA O4' 10.36701 -2.14608 -5.48450 DNA1 4 0.00000 102 4 GUA C1' 8.99761 -1.91889 -5.21209 DNA1 4 0.00000 103 4 GUA H1' 8.63287 -2.84029 -4.70980 DNA1 4 0.00000 104 4 GUA N9 8.90377 -0.74206 -4.30571 DNA1 4 0.00000 105 4 GUA C4 8.76571 -0.79685 -2.93760 DNA1 4 0.00000 106 4 GUA N3 8.68798 -1.93461 -2.19668 DNA1 4 0.00000 107 4 GUA C2 8.54854 -1.68365 -0.89702 DNA1 4 0.00000 108 4 GUA N1 8.50111 -0.40933 -0.36733 DNA1 4 0.00000 109 4 GUA H1 8.40243 -0.32407 0.65438 DNA1 4 0.00000 110 4 GUA N2 8.45588 -2.68902 -0.02251 DNA1 4 0.00000 111 4 GUA H21 8.34854 -2.61546 0.97907 DNA1 4 0.00000 112 4 GUA H22 8.49764 -3.62332 -0.40387 DNA1 4 0.00000 113 4 GUA C6 8.57696 0.77911 -1.11342 DNA1 4 0.00000 114 4 GUA O6 8.51660 1.86293 -0.53504 DNA1 4 0.00000 115 4 GUA C5 8.71696 0.51290 -2.49586 DNA1 4 0.00000 116 4 GUA N7 8.82440 1.39019 -3.57624 DNA1 4 0.00000 117 4 GUA C8 8.93379 0.60205 -4.61493 DNA1 4 0.00000 118 4 GUA H8 9.04164 0.90726 -5.65575 DNA1 4 0.00000 119 4 GUA C2' 8.28004 -1.72862 -6.54154 DNA1 4 0.00000 120 4 GUA H2'' 8.27545 -0.64496 -6.78645 DNA1 4 0.00000 121 4 GUA H2' 7.29064 -2.23047 -6.48181 DNA1 4 0.00000 122 4 GUA C3' 9.18853 -2.47764 -7.50297 DNA1 4 0.00000 123 4 GUA H3' 9.09382 -2.00645 -8.50463 DNA1 4 0.00000 124 4 GUA O3' 8.84979 -3.86207 -7.48414 DNA1 4 0.00000 125 5 ADE P 7.31475 -4.29287 -7.45506 DNA1 5 0.00000 126 5 ADE O1P 7.14227 -5.57355 -8.16760 DNA1 5 0.00000 127 5 ADE O2P 6.48221 -3.16467 -7.93852 DNA1 5 0.00000 128 5 ADE O5' 7.07226 -4.49934 -5.89389 DNA1 5 0.00000 129 5 ADE C5' 8.04132 -5.26233 -5.13167 DNA1 5 0.00000 130 5 ADE H5' 8.72927 -4.56701 -4.60482 DNA1 5 0.00000 131 5 ADE H5'' 8.49870 -6.03719 -5.78336 DNA1 5 0.00000 132 5 ADE C4' 7.33942 -6.03101 -4.03547 DNA1 5 0.00000 133 5 ADE H4' 7.97293 -6.86179 -3.65759 DNA1 5 0.00000 134 5 ADE O4' 7.09560 -5.12628 -2.91221 DNA1 5 0.00000 135 5 ADE C1' 5.72222 -4.79222 -2.85505 DNA1 5 0.00000 136 5 ADE H1' 5.34020 -5.24558 -1.91545 DNA1 5 0.00000 137 5 ADE C5 5.40030 -1.25185 -2.12510 DNA1 5 0.00000 138 5 ADE N7 5.54791 -1.18478 -3.49939 DNA1 5 0.00000 139 5 ADE C8 5.66421 -2.42717 -3.86191 DNA1 5 0.00000 140 5 ADE H8 5.78943 -2.80015 -4.87842 DNA1 5 0.00000 141 5 ADE N9 5.61697 -3.30893 -2.81483 DNA1 5 0.00000 142 5 ADE N1 5.12837 -0.66714 0.13613 DNA1 5 0.00000 143 5 ADE C2 5.18683 -1.96898 0.40196 DNA1 5 0.00000 144 5 ADE H2 5.09070 -2.24374 1.45237 DNA1 5 0.00000 145 5 ADE N3 5.34467 -2.98321 -0.42025 DNA1 5 0.00000 146 5 ADE C4 5.44838 -2.54347 -1.68841 DNA1 5 0.00000 147 5 ADE C6 5.23328 -0.25965 -1.13694 DNA1 5 0.00000 148 5 ADE N6 5.17480 1.04263 -1.39998 DNA1 5 0.00000 149 5 ADE H61 5.05301 1.69157 -0.63568 DNA1 5 0.00000 150 5 ADE H62 5.25352 1.35270 -2.35797 DNA1 5 0.00000 151 5 ADE C2' 5.03525 -5.42396 -4.05779 DNA1 5 0.00000 152 5 ADE H2'' 5.04376 -4.69091 -4.89259 DNA1 5 0.00000 153 5 ADE H2' 4.04123 -5.80202 -3.73636 DNA1 5 0.00000 154 5 ADE C3' 5.95920 -6.58836 -4.37563 DNA1 5 0.00000 155 5 ADE H3' 5.88924 -6.79639 -5.46473 DNA1 5 0.00000 156 5 ADE O3' 5.61036 -7.70137 -3.55503 DNA1 5 0.00000 157 6 ADE P 4.07204 -8.04397 -3.31227 DNA1 6 0.00000 158 6 ADE O1P 3.90606 -9.49929 -3.13945 DNA1 6 0.00000 159 6 ADE O2P 3.25827 -7.42021 -4.38373 DNA1 6 0.00000 160 6 ADE O5' 3.79398 -7.29475 -1.93264 DNA1 6 0.00000 161 6 ADE C5' 4.74069 -7.45777 -0.84671 DNA1 6 0.00000 162 6 ADE H5' 5.42199 -6.58080 -0.81386 DNA1 6 0.00000 163 6 ADE H5'' 5.20659 -8.46445 -0.90885 DNA1 6 0.00000 164 6 ADE C4' 4.00956 -7.44086 0.47577 DNA1 6 0.00000 165 6 ADE H4' 4.62949 -7.88680 1.28271 DNA1 6 0.00000 166 6 ADE O4' 3.74766 -6.05042 0.84836 DNA1 6 0.00000 167 6 ADE C1' 2.37578 -5.75674 0.66850 DNA1 6 0.00000 168 6 ADE H1' 1.97007 -5.57507 1.68670 DNA1 6 0.00000 169 6 ADE C5 2.06315 -2.46585 -0.82861 DNA1 6 0.00000 170 6 ADE N7 2.24120 -3.21648 -1.97664 DNA1 6 0.00000 171 6 ADE C8 2.35657 -4.43408 -1.53624 DNA1 6 0.00000 172 6 ADE H8 2.50149 -5.33270 -2.13590 DNA1 6 0.00000 173 6 ADE N9 2.28021 -4.53330 -0.17362 DNA1 6 0.00000 174 6 ADE N1 1.74599 -0.66610 0.65226 DNA1 6 0.00000 175 6 ADE C2 1.78934 -1.56210 1.63340 DNA1 6 0.00000 176 6 ADE H2 1.66853 -1.16818 2.64253 DNA1 6 0.00000 177 6 ADE N3 1.95796 -2.86589 1.56728 DNA1 6 0.00000 178 6 ADE C4 2.09246 -3.25328 0.28489 DNA1 6 0.00000 179 6 ADE C6 1.88160 -1.08324 -0.61467 DNA1 6 0.00000 180 6 ADE N6 1.83810 -0.18341 -1.59427 DNA1 6 0.00000 181 6 ADE H61 1.70424 0.78979 -1.35962 DNA1 6 0.00000 182 6 ADE H62 1.93994 -0.49447 -2.54977 DNA1 6 0.00000 183 6 ADE C2' 1.71082 -6.97984 0.05063 DNA1 6 0.00000 184 6 ADE H2'' 1.74369 -6.87701 -1.05512 DNA1 6 0.00000 185 6 ADE H2' 0.70699 -7.10413 0.51018 DNA1 6 0.00000 186 6 ADE C3' 2.63322 -8.10244 0.49864 DNA1 6 0.00000 187 6 ADE H3' 2.58591 -8.91169 -0.26109 DNA1 6 0.00000 188 6 ADE O3' 2.25859 -8.52282 1.80796 DNA1 6 0.00000 189 7 THY P 0.71293 -8.66810 2.17194 DNA1 7 0.00000 190 7 THY O1P 0.53291 -9.74641 3.16272 DNA1 7 0.00000 191 7 THY O2P -0.07272 -8.79963 0.92094 DNA1 7 0.00000 192 7 THY O5' 0.41010 -7.25365 2.84117 DNA1 7 0.00000 193 7 THY C5' 1.33166 -6.74064 3.83642 DNA1 7 0.00000 194 7 THY H5' 2.01774 -6.00619 3.36293 DNA1 7 0.00000 195 7 THY H5'' 1.79226 -7.58841 4.38728 DNA1 7 0.00000 196 7 THY C4' 0.57193 -5.95558 4.88179 DNA1 7 0.00000 197 7 THY H4' 1.17017 -5.83752 5.81049 DNA1 7 0.00000 198 7 THY O4' 0.31183 -4.61370 4.36001 DNA1 7 0.00000 199 7 THY C1' -1.05367 -4.49129 4.01114 DNA1 7 0.00000 200 7 THY H1' -1.48054 -3.74862 4.71863 DNA1 7 0.00000 201 7 THY N1 -1.12214 -3.99592 2.61002 DNA1 7 0.00000 202 7 THY C6 -0.98978 -4.86334 1.55394 DNA1 7 0.00000 203 7 THY H6 -0.83014 -5.91493 1.79224 DNA1 7 0.00000 204 7 THY C2 -1.32257 -2.64385 2.42776 DNA1 7 0.00000 205 7 THY O2 -1.44166 -1.86414 3.35676 DNA1 7 0.00000 206 7 THY N3 -1.37804 -2.22896 1.11248 DNA1 7 0.00000 207 7 THY H3 -1.53251 -1.16326 0.94358 DNA1 7 0.00000 208 7 THY C4 -1.25846 -3.02192 -0.00415 DNA1 7 0.00000 209 7 THY O4 -1.32664 -2.53450 -1.13912 DNA1 7 0.00000 210 7 THY C5 -1.05627 -4.42118 0.28224 DNA1 7 0.00000 211 7 THY C5M -0.91261 -5.32341 -0.90572 DNA1 7 0.00000 212 7 THY H51 -0.74949 -6.37058 -0.57234 DNA1 7 0.00000 213 7 THY H52 0.00138 -4.97714 -1.43395 DNA1 7 0.00000 214 7 THY H53 -1.74904 -5.35521 -1.63626 DNA1 7 0.00000 215 7 THY C2' -1.71365 -5.84822 4.21559 DNA1 7 0.00000 216 7 THY H2'' -1.65607 -6.41456 3.26151 DNA1 7 0.00000 217 7 THY H2' -2.72808 -5.68569 4.63848 DNA1 7 0.00000 218 7 THY C3' -0.80927 -6.48687 5.25772 DNA1 7 0.00000 219 7 THY H3' -0.84587 -7.58835 5.11726 DNA1 7 0.00000 220 7 THY O3' -1.21538 -6.06132 6.55538 DNA1 7 0.00000 221 8 THY P -2.76962 -5.97620 6.90144 DNA1 8 0.00000 222 8 THY O1P -2.97892 -6.26787 8.33312 DNA1 8 0.00000 223 8 THY O2P -3.52867 -6.82238 5.94915 DNA1 8 0.00000 224 8 THY O5' -3.07699 -4.43967 6.60631 DNA1 8 0.00000 225 8 THY C5' -2.17377 -3.43391 7.13041 DNA1 8 0.00000 226 8 THY H5' -1.47196 -3.11306 6.33114 DNA1 8 0.00000 227 8 THY H5'' -1.73177 -3.79328 8.08425 DNA1 8 0.00000 228 8 THY C4' -2.95055 -2.19102 7.49755 DNA1 8 0.00000 229 8 THY H4' -2.37134 -1.54638 8.19273 DNA1 8 0.00000 230 8 THY O4' -3.18967 -1.41255 6.28185 DNA1 8 0.00000 231 8 THY C1' -4.54631 -1.52813 5.89840 DNA1 8 0.00000 232 8 THY H1' -4.98318 -0.51455 6.02536 DNA1 8 0.00000 233 8 THY N1 -4.58060 -1.95101 4.47243 DNA1 8 0.00000 234 8 THY C6 -4.43135 -3.27213 4.12973 DNA1 8 0.00000 235 8 THY H6 -4.28435 -3.98182 4.94388 DNA1 8 0.00000 236 8 THY C2 -4.76742 -0.96453 3.52624 DNA1 8 0.00000 237 8 THY O2 -4.90123 0.21065 3.81696 DNA1 8 0.00000 238 8 THY N3 -4.79116 -1.40227 2.21652 DNA1 8 0.00000 239 8 THY H3 -4.93429 -0.64010 1.45055 DNA1 8 0.00000 240 8 THY C4 -4.65279 -2.69978 1.78125 DNA1 8 0.00000 241 8 THY O4 -4.69273 -2.97121 0.57541 DNA1 8 0.00000 242 8 THY C5 -4.46688 -3.66196 2.84028 DNA1 8 0.00000 243 8 THY C5M -4.30367 -5.08935 2.41139 DNA1 8 0.00000 244 8 THY H51 -4.15521 -5.74026 3.29943 DNA1 8 0.00000 245 8 THY H52 -3.37598 -5.11262 1.80052 DNA1 8 0.00000 246 8 THY H53 -5.12420 -5.54984 1.82064 DNA1 8 0.00000 247 8 THY C2' -5.22021 -2.51118 6.84685 DNA1 8 0.00000 248 8 THY H2'' -5.14602 -3.52942 6.40868 DNA1 8 0.00000 249 8 THY H2' -6.24237 -2.13833 7.07153 DNA1 8 0.00000 250 8 THY C3' -4.34337 -2.40988 8.08455 DNA1 8 0.00000 251 8 THY H3' -4.38453 -3.38410 8.61701 DNA1 8 0.00000 252 8 THY O3' -4.77477 -1.30482 8.87502 DNA1 8 0.00000 253 9 CYT P -6.33556 -1.04389 9.07080 DNA1 9 0.00000 254 9 CYT O1P -6.57816 -0.44089 10.39646 DNA1 9 0.00000 255 9 CYT O2P -7.07958 -2.29376 8.78172 DNA1 9 0.00000 256 9 CYT O5' -6.62547 0.02355 7.92290 DNA1 9 0.00000 257 9 CYT C5' -5.72680 1.15147 7.77686 DNA1 9 0.00000 258 9 CYT H5' -5.00449 0.94655 6.95797 DNA1 9 0.00000 259 9 CYT H5'' -5.30943 1.42408 8.76974 DNA1 9 0.00000 260 9 CYT C4' -6.50261 2.36854 7.32550 DNA1 9 0.00000 261 9 CYT H4' -5.93498 3.30323 7.52160 DNA1 9 0.00000 262 9 CYT O4' -6.70954 2.28222 5.88032 DNA1 9 0.00000 263 9 CYT C1' -8.05826 1.95385 5.60791 DNA1 9 0.00000 264 9 CYT H1' -8.49049 2.84559 5.10562 DNA1 9 0.00000 265 9 CYT N1 -8.06435 0.77330 4.70153 DNA1 9 0.00000 266 9 CYT C6 -7.91739 -0.48651 5.18459 DNA1 9 0.00000 267 9 CYT H6 -7.79197 -0.58500 6.26287 DNA1 9 0.00000 268 9 CYT C2 -8.22295 1.00165 3.33641 DNA1 9 0.00000 269 9 CYT O2 -8.35631 2.16474 2.93604 DNA1 9 0.00000 270 9 CYT N3 -8.22595 -0.26189 2.50690 DNA1 9 0.00000 271 9 CYT C4 -8.08696 -1.30747 2.96030 DNA1 9 0.00000 272 9 CYT N4 -8.09973 -2.30852 2.09419 DNA1 9 0.00000 273 9 CYT H41 -8.22701 -2.10377 1.11339 DNA1 9 0.00000 274 9 CYT H42 -7.98433 -3.26207 2.40647 DNA1 9 0.00000 275 9 CYT C5 -7.92717 -1.56791 4.35771 DNA1 9 0.00000 276 9 CYT H5 -7.82263 -2.60107 4.68901 DNA1 9 0.00000 277 9 CYT C2' -8.75970 1.71076 6.93736 DNA1 9 0.00000 278 9 CYT H2'' -8.68371 0.62976 7.18227 DNA1 9 0.00000 279 9 CYT H2' -9.78367 2.13767 6.87763 DNA1 9 0.00000 280 9 CYT C3' -7.90941 2.52525 7.89879 DNA1 9 0.00000 281 9 CYT H3' -7.96883 2.04833 8.90045 DNA1 9 0.00000 282 9 CYT O3' -8.35014 3.88067 7.87996 DNA1 9 0.00000 283 10 GUA P -9.91295 4.19615 7.85088 DNA1 10 0.00000 284 10 GUA O1P -10.18017 5.46046 8.56342 DNA1 10 0.00000 285 10 GUA O2P -10.65932 3.00918 8.33434 DNA1 10 0.00000 286 10 GUA O5' -10.17012 4.38402 6.28970 DNA1 10 0.00000 287 10 GUA C5' -9.26047 5.21695 5.52749 DNA1 10 0.00000 288 10 GUA H5' -8.52273 4.57469 5.00064 DNA1 10 0.00000 289 10 GUA H5'' -8.86196 6.02367 6.17918 DNA1 10 0.00000 290 10 GUA C4' -10.01757 5.93131 4.43129 DNA1 10 0.00000 291 10 GUA H4' -9.44758 6.80690 4.05341 DNA1 10 0.00000 292 10 GUA O4' -10.19345 5.01096 3.30803 DNA1 10 0.00000 293 10 GUA C1' -11.53819 4.57573 3.25087 DNA1 10 0.00000 294 10 GUA H1' -11.95286 4.99943 2.31127 DNA1 10 0.00000 295 10 GUA N9 -11.53288 3.08871 3.21064 DNA1 10 0.00000 296 10 GUA C4 -11.64435 2.31989 2.07452 DNA1 10 0.00000 297 10 GUA N3 -11.78216 2.79611 0.80847 DNA1 10 0.00000 298 10 GUA C2 -11.87595 1.82095 -0.09229 DNA1 10 0.00000 299 10 GUA N1 -11.82605 0.48019 0.22833 DNA1 10 0.00000 300 10 GUA H1 -11.89633 -0.19529 -0.54605 DNA1 10 0.00000 301 10 GUA N2 -12.01689 2.11245 -1.38854 DNA1 10 0.00000 302 10 GUA H21 -12.09716 1.45788 -2.15352 DNA1 10 0.00000 303 10 GUA H22 -12.04634 3.09288 -1.62937 DNA1 10 0.00000 304 10 GUA C6 -11.68679 -0.03488 1.52918 DNA1 10 0.00000 305 10 GUA O6 -11.66144 -1.25354 1.69932 DNA1 10 0.00000 306 10 GUA C5 -11.59523 1.00011 2.48703 DNA1 10 0.00000 307 10 GUA N7 -11.45269 0.93444 3.87427 DNA1 10 0.00000 308 10 GUA C8 -11.41929 2.18799 4.24950 DNA1 10 0.00000 309 10 GUA H8 -11.31395 2.56036 5.26849 DNA1 10 0.00000 310 10 GUA C2' -12.27024 5.15464 4.45361 DNA1 10 0.00000 311 10 GUA H2'' -12.20725 4.42426 5.28841 DNA1 10 0.00000 312 10 GUA H2' -13.28961 5.45776 4.13218 DNA1 10 0.00000 313 10 GUA C3' -11.43541 6.38451 4.77144 DNA1 10 0.00000 314 10 GUA H3' -11.52064 6.58676 5.86055 DNA1 10 0.00000 315 10 GUA O3' -11.86603 7.46850 3.95085 DNA1 10 0.00000 316 11 CYT P -13.42556 7.69579 3.70809 DNA1 11 0.00000 317 11 CYT O1P -13.69928 9.13475 3.53527 DNA1 11 0.00000 318 11 CYT O2P -14.19070 7.01326 4.77954 DNA1 11 0.00000 319 11 CYT O5' -13.64715 6.92797 2.32846 DNA1 11 0.00000 320 11 CYT C5' -12.71517 7.16093 1.24252 DNA1 11 0.00000 321 11 CYT H5' -11.97057 6.33703 1.20968 DNA1 11 0.00000 322 11 CYT H5'' -12.32541 8.19946 1.30467 DNA1 11 0.00000 323 11 CYT C4' -13.44303 7.08971 -0.07996 DNA1 11 0.00000 324 11 CYT H4' -12.85796 7.58050 -0.88689 DNA1 11 0.00000 325 11 CYT O4' -13.60083 5.68364 -0.45254 DNA1 11 0.00000 326 11 CYT C1' -14.94708 5.28878 -0.27269 DNA1 11 0.00000 327 11 CYT H1' -15.33815 5.07745 -1.29089 DNA1 11 0.00000 328 11 CYT N1 -14.95143 4.06162 0.56943 DNA1 11 0.00000 329 11 CYT C6 -14.85403 4.13323 1.92036 DNA1 11 0.00000 330 11 CYT H6 -14.76927 5.13089 2.35116 DNA1 11 0.00000 331 11 CYT C2 -15.05575 2.83156 -0.07483 DNA1 11 0.00000 332 11 CYT O2 -15.14488 2.80667 -1.30924 DNA1 11 0.00000 333 11 CYT N3 -15.06185 1.65133 0.86940 DNA1 11 0.00000 334 11 CYT C4 -14.96586 1.76089 2.00812 DNA1 11 0.00000 335 11 CYT N4 -14.97370 0.62725 2.69080 DNA1 11 0.00000 336 11 CYT H41 -15.06095 -0.24454 2.18834 DNA1 11 0.00000 337 11 CYT H42 -14.89390 0.63108 3.69764 DNA1 11 0.00000 338 11 CYT C5 -14.86234 3.01235 2.69266 DNA1 11 0.00000 339 11 CYT H5 -14.79617 3.00996 3.78065 DNA1 11 0.00000 340 11 CYT C2' -15.70113 6.45907 0.34519 DNA1 11 0.00000 341 11 CYT H2'' -15.66071 6.35896 1.45093 DNA1 11 0.00000 342 11 CYT H2' -16.71142 6.50839 -0.11437 DNA1 11 0.00000 343 11 CYT C3' -14.86474 7.64713 -0.10283 DNA1 11 0.00000 344 11 CYT H3' -14.97208 8.45063 0.65690 DNA1 11 0.00000 345 11 CYT O3' -15.26958 8.03850 -1.41215 DNA1 11 0.00000 346 12 GUA P -16.82177 8.06846 -1.77612 DNA1 12 0.00000 347 12 GUA O1P -17.08145 9.13041 -2.76691 DNA1 12 0.00000 348 12 GUA O2P -17.61503 8.14122 -0.52513 DNA1 12 0.00000 349 12 GUA O5' -17.01860 6.63542 -2.44536 DNA1 12 0.00000 350 12 GUA C5' -16.06146 6.19234 -3.44060 DNA1 12 0.00000 351 12 GUA H5' -15.32267 5.51093 -2.96711 DNA1 12 0.00000 352 12 GUA H5'' -15.66515 7.07200 -3.99147 DNA1 12 0.00000 353 12 GUA C4' -16.76072 5.35297 -4.48598 DNA1 12 0.00000 354 12 GUA H4' -16.15536 5.27971 -5.41468 DNA1 12 0.00000 355 12 GUA O4' -16.92033 3.99547 -3.96420 DNA1 12 0.00000 356 12 GUA C1' -18.27295 3.77188 -3.61533 DNA1 12 0.00000 357 12 GUA H1' -18.64343 2.99953 -4.32282 DNA1 12 0.00000 358 12 GUA N9 -18.30441 3.27279 -2.21421 DNA1 12 0.00000 359 12 GUA C4 -18.39534 1.95205 -1.83817 DNA1 12 0.00000 360 12 GUA N3 -18.47601 0.89309 -2.68763 DNA1 12 0.00000 361 12 GUA C2 -18.56290 -0.26727 -2.04199 DNA1 12 0.00000 362 12 GUA N1 -18.55881 -0.37732 -0.66716 DNA1 12 0.00000 363 12 GUA H1 -18.61897 -1.32462 -0.26728 DNA1 12 0.00000 364 12 GUA N2 -18.65036 -1.41263 -2.72533 DNA1 12 0.00000 365 12 GUA H21 -18.72034 -2.34478 -2.34286 DNA1 12 0.00000 366 12 GUA H22 -18.64599 -1.33793 -3.73256 DNA1 12 0.00000 367 12 GUA C6 -18.47893 0.70275 0.22979 DNA1 12 0.00000 368 12 GUA O6 -18.49093 0.48733 1.44080 DNA1 12 0.00000 369 12 GUA C5 -18.39479 1.93708 -0.45478 DNA1 12 0.00000 370 12 GUA N7 -18.30312 3.23825 0.03998 DNA1 12 0.00000 371 12 GUA C8 -18.25081 3.98349 -1.03343 DNA1 12 0.00000 372 12 GUA H8 -18.17196 5.07006 -1.06886 DNA1 12 0.00000 373 12 GUA C2' -19.03199 5.07599 -3.81978 DNA1 12 0.00000 374 12 GUA H2'' -19.01668 5.64504 -2.86570 DNA1 12 0.00000 375 12 GUA H2' -20.03152 4.83849 -4.24268 DNA1 12 0.00000 376 12 GUA C3' -18.17759 5.78011 -4.86191 DNA1 12 0.00000 377 12 GUA H3' -18.29598 6.87581 -4.72145 DNA1 12 0.00000 378 12 GUA O3' -18.55093 5.32554 -6.15957 DNA1 12 0.00000 379 12 GUA H3T -19.48556 5.13559 -6.26908 DNA1 12 0.00000 380 13 CYT H5T -20.64458 -8.24200 3.13650 DNA2 1 0.00000 381 13 CYT O5' -20.12948 -8.18473 2.32843 DNA2 1 0.00000 382 13 CYT C5' -21.06142 -8.41867 1.24312 DNA2 1 0.00000 383 13 CYT H5' -21.80145 -7.59034 1.21964 DNA2 1 0.00000 384 13 CYT H5'' -21.44364 -9.45935 1.31526 DNA2 1 0.00000 385 13 CYT C4' -20.33358 -8.34705 -0.08050 DNA2 1 0.00000 386 13 CYT H4' -20.91774 -8.83775 -0.88815 DNA2 1 0.00000 387 13 CYT O4' -20.17575 -6.94149 -0.45240 DNA2 1 0.00000 388 13 CYT C1' -18.82953 -6.54617 -0.27222 DNA2 1 0.00000 389 13 CYT H1' -18.43839 -6.33412 -1.29024 DNA2 1 0.00000 390 13 CYT N1 -18.82519 -5.31863 0.56945 DNA2 1 0.00000 391 13 CYT C6 -18.92256 -5.39097 1.92125 DNA2 1 0.00000 392 13 CYT H6 -19.00718 -6.38844 2.35251 DNA2 1 0.00000 393 13 CYT C2 -18.72089 -4.08795 -0.07505 DNA2 1 0.00000 394 13 CYT O2 -18.63170 -4.06455 -1.30890 DNA2 1 0.00000 395 13 CYT N3 -18.71479 -2.90782 0.86935 DNA2 1 0.00000 396 13 CYT C4 -18.81075 -3.01818 2.00810 DNA2 1 0.00000 397 13 CYT N4 -18.80292 -1.88439 2.69137 DNA2 1 0.00000 398 13 CYT H41 -18.71572 -1.01244 2.18918 DNA2 1 0.00000 399 13 CYT H42 -18.88267 -1.88855 3.69821 DNA2 1 0.00000 400 13 CYT C5 -18.91427 -4.26963 2.69312 DNA2 1 0.00000 401 13 CYT H5 -18.98046 -4.26692 3.78110 DNA2 1 0.00000 402 13 CYT C2' -18.07548 -7.71629 0.34485 DNA2 1 0.00000 403 13 CYT H2'' -18.11497 -7.61590 1.45060 DNA2 1 0.00000 404 13 CYT H2' -17.06557 -7.76556 -0.11556 DNA2 1 0.00000 405 13 CYT C3' -18.91187 -8.90435 -0.10204 DNA2 1 0.00000 406 13 CYT H3' -18.80482 -9.70696 0.65867 DNA2 1 0.00000 407 13 CYT O3' -18.50704 -9.29530 -1.41163 DNA2 1 0.00000 408 14 GUA P -16.95485 -9.32533 -1.77574 DNA2 2 0.00000 409 14 GUA O1P -16.69516 -10.38758 -2.76658 DNA2 2 0.00000 410 14 GUA O2P -16.16161 -9.39768 -0.52464 DNA2 2 0.00000 411 14 GUA O5' -16.75799 -7.89323 -2.44584 DNA2 2 0.00000 412 14 GUA C5' -17.71512 -7.45039 -3.44082 DNA2 2 0.00000 413 14 GUA H5' -18.45430 -6.76953 -2.96715 DNA2 2 0.00000 414 14 GUA H5'' -18.11092 -8.33007 -3.99203 DNA2 2 0.00000 415 14 GUA C4' -17.01587 -6.61057 -4.48530 DNA2 2 0.00000 416 14 GUA H4' -17.62117 -6.53751 -5.41406 DNA2 2 0.00000 417 14 GUA O4' -16.85626 -5.25322 -3.96395 DNA2 2 0.00000 418 14 GUA C1' -15.50364 -5.02943 -3.61555 DNA2 2 0.00000 419 14 GUA H1' -15.13349 -4.25714 -4.32327 DNA2 2 0.00000 420 14 GUA N9 -15.47219 -4.53038 -2.21454 DNA2 2 0.00000 421 14 GUA C4 -15.38126 -3.20942 -1.83890 DNA2 2 0.00000 422 14 GUA N3 -15.30060 -2.15026 -2.68763 DNA2 2 0.00000 423 14 GUA C2 -15.21372 -0.98949 -2.04253 DNA2 2 0.00000 424 14 GUA N1 -15.21780 -0.87986 -0.66744 DNA2 2 0.00000 425 14 GUA H1 -15.15763 0.06731 -0.26726 DNA2 2 0.00000 426 14 GUA N2 -15.12626 0.15572 -2.72515 DNA2 2 0.00000 427 14 GUA H21 -15.05632 1.08772 -2.34230 DNA2 2 0.00000 428 14 GUA H22 -15.13054 0.08143 -3.73240 DNA2 2 0.00000 429 14 GUA C6 -15.29768 -1.96009 0.22902 DNA2 2 0.00000 430 14 GUA O6 -15.28568 -1.74466 1.44069 DNA2 2 0.00000 431 14 GUA C5 -15.38185 -3.19361 -0.45538 DNA2 2 0.00000 432 14 GUA N7 -15.47349 -4.49533 0.04078 DNA2 2 0.00000 433 14 GUA C8 -15.52578 -5.24140 -1.03344 DNA2 2 0.00000 434 14 GUA H8 -15.60453 -6.32798 -1.06870 DNA2 2 0.00000 435 14 GUA C2' -14.74462 -6.33316 -3.81995 DNA2 2 0.00000 436 14 GUA H2'' -14.75926 -6.90176 -2.86559 DNA2 2 0.00000 437 14 GUA H2' -13.74538 -6.09546 -4.24343 DNA2 2 0.00000 438 14 GUA C3' -15.59900 -7.03792 -4.86105 DNA2 2 0.00000 439 14 GUA H3' -15.48051 -8.13351 -4.71971 DNA2 2 0.00000 440 14 GUA O3' -15.22566 -6.58301 -6.16010 DNA2 2 0.00000 441 15 CYT P -13.68204 -6.38269 -6.50630 DNA2 3 0.00000 442 15 CYT O1P -13.45166 -6.65748 -7.93697 DNA2 3 0.00000 443 15 CYT O2P -12.86220 -7.16976 -5.55358 DNA2 3 0.00000 444 15 CYT O5' -13.48975 -4.82779 -6.21077 DNA2 3 0.00000 445 15 CYT C5' -14.46524 -3.89188 -6.73479 DNA2 3 0.00000 446 15 CYT H5' -15.18913 -3.62438 -5.93557 DNA2 3 0.00000 447 15 CYT H5'' -14.87911 -4.28289 -7.68880 DNA2 3 0.00000 448 15 CYT C4' -13.78304 -2.59423 -7.10154 DNA2 3 0.00000 449 15 CYT H4' -14.40869 -1.99450 -7.79667 DNA2 3 0.00000 450 15 CYT O4' -13.60245 -1.80021 -5.88596 DNA2 3 0.00000 451 15 CYT C1' -12.24099 -1.81416 -5.50273 DNA2 3 0.00000 452 15 CYT H1' -11.88087 -0.77092 -5.63038 DNA2 3 0.00000 453 15 CYT N1 -12.17532 -2.23398 -4.07636 DNA2 3 0.00000 454 15 CYT C6 -12.22668 -3.54259 -3.72348 DNA2 3 0.00000 455 15 CYT H6 -12.32174 -4.26347 -4.53551 DNA2 3 0.00000 456 15 CYT C2 -12.06231 -1.23770 -3.11010 DNA2 3 0.00000 457 15 CYT O2 -12.01629 -0.05451 -3.47108 DNA2 3 0.00000 458 15 CYT N3 -11.99249 -1.76906 -1.69684 DNA2 3 0.00000 459 15 CYT C4 -12.05092 -2.88772 -1.44566 DNA2 3 0.00000 460 15 CYT N4 -11.98983 -3.18492 -0.15756 DNA2 3 0.00000 461 15 CYT H41 -11.89804 -2.43489 0.51261 DNA2 3 0.00000 462 15 CYT H42 -12.03403 -4.14504 0.15277 DNA2 3 0.00000 463 15 CYT C5 -12.16227 -3.92890 -2.41983 DNA2 3 0.00000 464 15 CYT H5 -12.18982 -4.96387 -2.07899 DNA2 3 0.00000 465 15 CYT C2' -11.49585 -2.74480 -6.45069 DNA2 3 0.00000 466 15 CYT H2'' -11.49455 -3.76569 -6.01241 DNA2 3 0.00000 467 15 CYT H2' -10.50405 -2.29737 -6.67532 DNA2 3 0.00000 468 15 CYT C3' -12.37780 -2.70878 -7.68868 DNA2 3 0.00000 469 15 CYT H3' -12.26433 -3.67714 -8.22133 DNA2 3 0.00000 470 15 CYT O3' -12.02972 -1.57533 -8.47958 DNA2 3 0.00000 471 16 GUA P -10.49266 -1.19883 -8.67545 DNA2 4 0.00000 472 16 GUA O1P -10.29556 -0.57973 -10.00009 DNA2 4 0.00000 473 16 GUA O2P -9.65778 -2.38995 -8.38606 DNA2 4 0.00000 474 16 GUA O5' -10.28289 -0.11351 -7.52727 DNA2 4 0.00000 475 16 GUA C5' -11.26295 0.94513 -7.37988 DNA2 4 0.00000 476 16 GUA H5' -11.96678 0.68739 -6.55981 DNA2 4 0.00000 477 16 GUA H5'' -11.70095 1.18580 -8.37213 DNA2 4 0.00000 478 16 GUA C4' -10.57978 2.21680 -6.92995 DNA2 4 0.00000 479 16 GUA H4' -11.21553 3.10660 -7.12591 DNA2 4 0.00000 480 16 GUA O4' -10.36699 2.14582 -5.48419 DNA2 4 0.00000 481 16 GUA C1' -8.99758 1.91831 -5.21173 DNA2 4 0.00000 482 16 GUA H1' -8.63265 2.83964 -4.70944 DNA2 4 0.00000 483 16 GUA N9 -8.90377 0.74222 -4.30551 DNA2 4 0.00000 484 16 GUA C4 -8.76570 0.79658 -2.93730 DNA2 4 0.00000 485 16 GUA N3 -8.68796 1.93425 -2.19625 DNA2 4 0.00000 486 16 GUA C2 -8.54850 1.68257 -0.89700 DNA2 4 0.00000 487 16 GUA N1 -8.50113 0.40995 -0.36739 DNA2 4 0.00000 488 16 GUA H1 -8.40256 0.32512 0.65437 DNA2 4 0.00000 489 16 GUA N2 -8.45589 2.68931 -0.02273 DNA2 4 0.00000 490 16 GUA H21 -8.34850 2.61657 0.97891 DNA2 4 0.00000 491 16 GUA H22 -8.49780 3.62330 -0.40483 DNA2 4 0.00000 492 16 GUA C6 -8.57694 -0.77937 -1.11386 DNA2 4 0.00000 493 16 GUA O6 -8.51659 -1.86321 -0.53531 DNA2 4 0.00000 494 16 GUA C5 -8.71693 -0.51355 -2.49554 DNA2 4 0.00000 495 16 GUA N7 -8.82442 -1.38947 -3.57602 DNA2 4 0.00000 496 16 GUA C8 -8.93380 -0.60167 -4.61416 DNA2 4 0.00000 497 16 GUA H8 -9.04173 -0.90685 -5.65499 DNA2 4 0.00000 498 16 GUA C2' -8.28000 1.72785 -6.54118 DNA2 4 0.00000 499 16 GUA H2'' -8.27616 0.64430 -6.78661 DNA2 4 0.00000 500 16 GUA H2' -7.29028 2.22906 -6.48151 DNA2 4 0.00000 501 16 GUA C3' -9.18853 2.47806 -7.50220 DNA2 4 0.00000 502 16 GUA H3' -9.09343 2.00795 -8.50433 DNA2 4 0.00000 503 16 GUA O3' -8.84977 3.86185 -7.48441 DNA2 4 0.00000 504 17 ADE P -7.31473 4.29253 -7.45548 DNA2 5 0.00000 505 17 ADE O1P -7.14227 5.57376 -8.16771 DNA2 5 0.00000 506 17 ADE O2P -6.48219 3.16445 -7.93854 DNA2 5 0.00000 507 17 ADE O5' -7.07225 4.49905 -5.89310 DNA2 5 0.00000 508 17 ADE C5' -8.04130 5.26220 -5.13114 DNA2 5 0.00000 509 17 ADE H5' -8.72919 4.56700 -4.60404 DNA2 5 0.00000 510 17 ADE H5'' -8.49877 6.03680 -5.78309 DNA2 5 0.00000 511 17 ADE C4' -7.33941 6.03077 -4.03589 DNA2 5 0.00000 512 17 ADE H4' -7.97353 6.86133 -3.65856 DNA2 5 0.00000 513 17 ADE O4' -7.09559 5.12618 -2.91189 DNA2 5 0.00000 514 17 ADE C1' -5.72222 4.79225 -2.85523 DNA2 5 0.00000 515 17 ADE H1' -5.33995 5.24558 -1.91572 DNA2 5 0.00000 516 17 ADE C5 -5.40030 1.25186 -2.12542 DNA2 5 0.00000 517 17 ADE N7 -5.54788 1.18404 -3.49943 DNA2 5 0.00000 518 17 ADE C8 -5.66420 2.42703 -3.86081 DNA2 5 0.00000 519 17 ADE H8 -5.78962 2.80098 -4.87694 DNA2 5 0.00000 520 17 ADE N9 -5.61697 3.30878 -2.81525 DNA2 5 0.00000 521 17 ADE N1 -5.12838 0.66766 0.13647 DNA2 5 0.00000 522 17 ADE C2 -5.18684 1.96917 0.40190 DNA2 5 0.00000 523 17 ADE H2 -5.09069 2.24364 1.45239 DNA2 5 0.00000 524 17 ADE N3 -5.34471 2.98422 -0.42049 DNA2 5 0.00000 525 17 ADE C4 -5.44839 2.54376 -1.68801 DNA2 5 0.00000 526 17 ADE C6 -5.23329 0.25988 -1.13695 DNA2 5 0.00000 527 17 ADE N6 -5.17477 -1.04339 -1.39996 DNA2 5 0.00000 528 17 ADE H61 -5.05302 -1.69220 -0.63555 DNA2 5 0.00000 529 17 ADE H62 -5.25346 -1.35361 -2.35791 DNA2 5 0.00000 530 17 ADE C2' -5.03526 5.42443 -4.05878 DNA2 5 0.00000 531 17 ADE H2'' -5.04426 4.69156 -4.89373 DNA2 5 0.00000 532 17 ADE H2' -4.04104 5.80225 -3.73770 DNA2 5 0.00000 533 17 ADE C3' -5.95923 6.58919 -4.37602 DNA2 5 0.00000 534 17 ADE H3' -5.88957 6.79793 -5.46501 DNA2 5 0.00000 535 17 ADE O3' -5.61034 7.70094 -3.55481 DNA2 5 0.00000 536 18 ADE P -4.07200 8.04312 -3.31210 DNA2 6 0.00000 537 18 ADE O1P -3.90608 9.50008 -3.14011 DNA2 6 0.00000 538 18 ADE O2P -3.25828 7.42059 -4.38432 DNA2 6 0.00000 539 18 ADE O5' -3.79395 7.29421 -1.93262 DNA2 6 0.00000 540 18 ADE C5' -4.74071 7.45822 -0.84732 DNA2 6 0.00000 541 18 ADE H5' -5.42277 6.58184 -0.81456 DNA2 6 0.00000 542 18 ADE H5'' -5.20571 8.46529 -0.90983 DNA2 6 0.00000 543 18 ADE C4' -4.00956 7.44091 0.47631 DNA2 6 0.00000 544 18 ADE H4' -4.62858 7.88682 1.28395 DNA2 6 0.00000 545 18 ADE O4' -3.74768 6.05097 0.84820 DNA2 6 0.00000 546 18 ADE C1' -2.37579 5.75682 0.66802 DNA2 6 0.00000 547 18 ADE H1' -1.96997 5.57444 1.68604 DNA2 6 0.00000 548 18 ADE C5 -2.06314 2.46565 -0.82881 DNA2 6 0.00000 549 18 ADE N7 -2.24119 3.21641 -1.97604 DNA2 6 0.00000 550 18 ADE C8 -2.35656 4.43378 -1.53653 DNA2 6 0.00000 551 18 ADE H8 -2.50143 5.33205 -2.13673 DNA2 6 0.00000 552 18 ADE N9 -2.28020 4.53300 -0.17364 DNA2 6 0.00000 553 18 ADE N1 -1.74596 0.66551 0.65287 DNA2 6 0.00000 554 18 ADE C2 -1.78935 1.56210 1.63255 DNA2 6 0.00000 555 18 ADE H2 -1.66823 1.16776 2.64147 DNA2 6 0.00000 556 18 ADE N3 -1.95793 2.86509 1.56706 DNA2 6 0.00000 557 18 ADE C4 -2.09245 3.25292 0.28495 DNA2 6 0.00000 558 18 ADE C6 -1.88158 1.08274 -0.61529 DNA2 6 0.00000 559 18 ADE N6 -1.83809 0.18335 -1.59452 DNA2 6 0.00000 560 18 ADE H61 -1.70429 -0.78987 -1.35992 DNA2 6 0.00000 561 18 ADE H62 -1.93988 0.49448 -2.55000 DNA2 6 0.00000 562 18 ADE C2' -1.71082 6.97977 0.05096 DNA2 6 0.00000 563 18 ADE H2'' -1.74273 6.87672 -1.05479 DNA2 6 0.00000 564 18 ADE H2' -0.70737 7.10398 0.51137 DNA2 6 0.00000 565 18 ADE C3' -2.63321 8.10236 0.49785 DNA2 6 0.00000 566 18 ADE H3' -2.58614 8.91070 -0.26286 DNA2 6 0.00000 567 18 ADE O3' -2.25858 8.52233 1.80744 DNA2 6 0.00000 568 19 THY P -0.71291 8.66766 2.17155 DNA2 7 0.00000 569 19 THY O1P -0.53291 9.74628 3.16239 DNA2 7 0.00000 570 19 THY O2P 0.07275 8.79878 0.92046 DNA2 7 0.00000 571 19 THY O5' -0.41012 7.25416 2.84165 DNA2 7 0.00000 572 19 THY C5' -1.33169 6.74139 3.83663 DNA2 7 0.00000 573 19 THY H5' -2.01820 6.00746 3.36295 DNA2 7 0.00000 574 19 THY H5'' -1.79179 7.58921 4.38783 DNA2 7 0.00000 575 19 THY C4' -0.57194 5.95588 4.88111 DNA2 7 0.00000 576 19 THY H4' -1.17014 5.83802 5.80987 DNA2 7 0.00000 577 19 THY O4' -0.31185 4.61415 4.35976 DNA2 7 0.00000 578 19 THY C1' 1.05365 4.49155 4.01136 DNA2 7 0.00000 579 19 THY H1' 1.48019 3.74891 4.71908 DNA2 7 0.00000 580 19 THY N1 1.12212 3.99621 2.61035 DNA2 7 0.00000 581 19 THY C6 0.98978 4.86334 1.55379 DNA2 7 0.00000 582 19 THY H6 0.83010 5.91487 1.79229 DNA2 7 0.00000 583 19 THY C2 1.32258 2.64360 2.42758 DNA2 7 0.00000 584 19 THY O2 1.44166 1.86391 3.35639 DNA2 7 0.00000 585 19 THY N3 1.37805 2.22875 1.11256 DNA2 7 0.00000 586 19 THY H3 1.53249 1.16300 0.94393 DNA2 7 0.00000 587 19 THY C4 1.25845 3.02216 -0.00528 DNA2 7 0.00000 588 19 THY O4 1.32666 2.53408 -1.13896 DNA2 7 0.00000 589 19 THY C5 1.05627 4.42133 0.28179 DNA2 7 0.00000 590 19 THY C5M 0.91263 5.32306 -0.90631 DNA2 7 0.00000 591 19 THY H51 0.74942 6.37033 -0.57328 DNA2 7 0.00000 592 19 THY H52 -0.00133 4.97657 -1.43448 DNA2 7 0.00000 593 19 THY H53 1.74909 5.35468 -1.63683 DNA2 7 0.00000 594 19 THY C2' 1.71365 5.84810 4.21576 DNA2 7 0.00000 595 19 THY H2'' 1.65678 6.41403 3.26140 DNA2 7 0.00000 596 19 THY H2' 2.72780 5.68534 4.63924 DNA2 7 0.00000 597 19 THY C3' 0.80924 6.48739 5.25686 DNA2 7 0.00000 598 19 THY H3' 0.84595 7.58875 5.11553 DNA2 7 0.00000 599 19 THY O3' 1.21536 6.06149 6.55591 DNA2 7 0.00000 600 20 THY P 2.76960 5.97648 6.90212 DNA2 8 0.00000 601 20 THY O1P 2.97891 6.26764 8.33278 DNA2 8 0.00000 602 20 THY O2P 3.52866 6.82233 5.94940 DNA2 8 0.00000 603 20 THY O5' 3.07696 4.44019 6.60658 DNA2 8 0.00000 604 20 THY C5' 2.17375 3.43434 7.13060 DNA2 8 0.00000 605 20 THY H5' 1.47175 3.11377 6.33138 DNA2 8 0.00000 606 20 THY H5'' 1.73196 3.79350 8.08462 DNA2 8 0.00000 607 20 THY C4' 2.95054 2.19100 7.49736 DNA2 8 0.00000 608 20 THY H4' 2.37120 1.54641 8.19248 DNA2 8 0.00000 609 20 THY O4' 3.18966 1.41260 6.28177 DNA2 8 0.00000 610 20 THY C1' 4.54631 1.52773 5.89855 DNA2 8 0.00000 611 20 THY H1' 4.98299 0.51415 6.02619 DNA2 8 0.00000 612 20 THY N1 4.58058 1.95128 4.47217 DNA2 8 0.00000 613 20 THY C6 4.43135 3.27199 4.12980 DNA2 8 0.00000 614 20 THY H6 4.28435 3.98166 4.94396 DNA2 8 0.00000 615 20 THY C2 4.76740 0.96506 3.52614 DNA2 8 0.00000 616 20 THY O2 4.90124 -0.21110 3.81691 DNA2 8 0.00000 617 20 THY N3 4.79117 1.40181 2.21717 DNA2 8 0.00000 618 20 THY H3 4.93432 0.63926 1.45158 DNA2 8 0.00000 619 20 THY C4 4.65280 2.69948 1.78114 DNA2 8 0.00000 620 20 THY O4 4.69272 2.97128 0.57570 DNA2 8 0.00000 621 20 THY C5 4.46687 3.66203 2.83975 DNA2 8 0.00000 622 20 THY C5M 4.30368 5.08901 2.41174 DNA2 8 0.00000 623 20 THY H51 4.15528 5.73948 3.30010 DNA2 8 0.00000 624 20 THY H52 3.37594 5.11255 1.80095 DNA2 8 0.00000 625 20 THY H53 5.12416 5.54979 1.82114 DNA2 8 0.00000 626 20 THY C2' 5.22020 2.51119 6.84651 DNA2 8 0.00000 627 20 THY H2'' 5.14560 3.52936 6.40822 DNA2 8 0.00000 628 20 THY H2' 6.24252 2.13874 7.07114 DNA2 8 0.00000 629 20 THY C3' 4.34337 2.40970 8.08449 DNA2 8 0.00000 630 20 THY H3' 4.38453 3.38382 8.61715 DNA2 8 0.00000 631 20 THY O3' 4.77475 1.30527 8.87540 DNA2 8 0.00000 632 21 CYT P 6.33554 1.04409 9.07127 DNA2 9 0.00000 633 21 CYT O1P 6.57813 0.44135 10.39591 DNA2 9 0.00000 634 21 CYT O2P 7.07956 2.29397 8.78188 DNA2 9 0.00000 635 21 CYT O5' 6.62542 -0.02264 7.92309 DNA2 9 0.00000 636 21 CYT C5' 5.72678 -1.15121 7.77570 DNA2 9 0.00000 637 21 CYT H5' 5.00574 -0.94651 6.95563 DNA2 9 0.00000 638 21 CYT H5'' 5.30788 -1.42378 8.76795 DNA2 9 0.00000 639 21 CYT C4' 6.50260 -2.36857 7.32577 DNA2 9 0.00000 640 21 CYT H4' 5.93476 -3.30317 7.52173 DNA2 9 0.00000 641 21 CYT O4' 6.70952 -2.28197 5.88000 DNA2 9 0.00000 642 21 CYT C1' 8.05823 -1.95328 5.60755 DNA2 9 0.00000 643 21 CYT H1' 8.49065 -2.84493 5.10526 DNA2 9 0.00000 644 21 CYT N1 8.06435 -0.77347 4.70133 DNA2 9 0.00000 645 21 CYT C6 7.91737 0.48681 5.18397 DNA2 9 0.00000 646 21 CYT H6 7.79189 0.58505 6.26226 DNA2 9 0.00000 647 21 CYT C2 8.22293 -1.00109 3.33652 DNA2 9 0.00000 648 21 CYT O2 8.35629 -2.16436 2.93581 DNA2 9 0.00000 649 21 CYT N3 8.22595 0.26186 2.50805 DNA2 9 0.00000 650 21 CYT C4 8.08698 1.30700 2.96036 DNA2 9 0.00000 651 21 CYT N4 8.09973 2.30852 2.09386 DNA2 9 0.00000 652 21 CYT H41 8.22711 2.10381 1.11307 DNA2 9 0.00000 653 21 CYT H42 7.98421 3.26206 2.40615 DNA2 9 0.00000 654 21 CYT C5 7.92717 1.56770 4.35787 DNA2 9 0.00000 655 21 CYT H5 7.82270 2.60092 4.68902 DNA2 9 0.00000 656 21 CYT C2' 8.75967 -1.71000 6.93700 DNA2 9 0.00000 657 21 CYT H2'' 8.68294 -0.62917 7.18243 DNA2 9 0.00000 658 21 CYT H2' 9.78391 -2.13624 6.87734 DNA2 9 0.00000 659 21 CYT C3' 7.90942 -2.52568 7.89802 DNA2 9 0.00000 660 21 CYT H3' 7.96931 -2.04980 8.90015 DNA2 9 0.00000 661 21 CYT O3' 8.35012 -3.88045 7.88023 DNA2 9 0.00000 662 22 GUA P 9.91293 -4.19582 7.85130 DNA2 10 0.00000 663 22 GUA O1P 10.18017 -5.46068 8.56354 DNA2 10 0.00000 664 22 GUA O2P 10.65930 -3.00897 8.33436 DNA2 10 0.00000 665 22 GUA O5' 10.17010 -4.38374 6.28892 DNA2 10 0.00000 666 22 GUA C5' 9.26046 -5.21683 5.52696 DNA2 10 0.00000 667 22 GUA H5' 8.52280 -4.57469 4.99986 DNA2 10 0.00000 668 22 GUA H5'' 8.86185 -6.02329 6.17891 DNA2 10 0.00000 669 22 GUA C4' 10.01755 -5.93108 4.43171 DNA2 10 0.00000 670 22 GUA H4' 9.44694 -6.80649 4.05438 DNA2 10 0.00000 671 22 GUA O4' 10.19345 -5.01087 3.30771 DNA2 10 0.00000 672 22 GUA C1' 11.53819 -4.57577 3.25106 DNA2 10 0.00000 673 22 GUA H1' 11.95311 -4.99942 2.31154 DNA2 10 0.00000 674 22 GUA N9 11.53287 -3.08857 3.21107 DNA2 10 0.00000 675 22 GUA C4 11.64434 -2.31968 2.07413 DNA2 10 0.00000 676 22 GUA N3 11.78216 -2.79596 0.80869 DNA2 10 0.00000 677 22 GUA C2 11.87596 -1.82116 -0.09176 DNA2 10 0.00000 678 22 GUA N1 11.82603 -0.47988 0.22829 DNA2 10 0.00000 679 22 GUA H1 11.89630 0.19523 -0.54643 DNA2 10 0.00000 680 22 GUA N2 12.01690 -2.11246 -1.38861 DNA2 10 0.00000 681 22 GUA H21 12.09717 -1.45770 -2.15342 DNA2 10 0.00000 682 22 GUA H22 12.04628 -3.09283 -1.62968 DNA2 10 0.00000 683 22 GUA C6 11.68679 0.03492 1.52914 DNA2 10 0.00000 684 22 GUA O6 11.66143 1.25375 1.69905 DNA2 10 0.00000 685 22 GUA C5 11.59523 -1.00016 2.48712 DNA2 10 0.00000 686 22 GUA N7 11.45269 -0.93453 3.87480 DNA2 10 0.00000 687 22 GUA C8 11.41927 -2.18750 4.24905 DNA2 10 0.00000 688 22 GUA H8 11.31379 -2.56047 5.26781 DNA2 10 0.00000 689 22 GUA C2' 12.27025 -5.15512 4.45460 DNA2 10 0.00000 690 22 GUA H2'' 12.20679 -4.42495 5.28955 DNA2 10 0.00000 691 22 GUA H2' 13.28981 -5.45798 4.13353 DNA2 10 0.00000 692 22 GUA C3' 11.43543 -6.38535 4.77185 DNA2 10 0.00000 693 22 GUA H3' 11.52041 -6.58833 5.86083 DNA2 10 0.00000 694 22 GUA O3' 11.86601 -7.46808 3.95063 DNA2 10 0.00000 695 23 CYT P 13.42553 -7.69495 3.70793 DNA2 11 0.00000 696 23 CYT O1P 13.69930 -9.13554 3.53594 DNA2 11 0.00000 697 23 CYT O2P 14.19071 -7.01365 4.78014 DNA2 11 0.00000 698 23 CYT O5' 13.64713 -6.92744 2.32844 DNA2 11 0.00000 699 23 CYT C5' 12.71519 -7.16138 1.24314 DNA2 11 0.00000 700 23 CYT H5' 11.96986 -6.33814 1.21038 DNA2 11 0.00000 701 23 CYT H5'' 12.32634 -8.20023 1.30565 DNA2 11 0.00000 702 23 CYT C4' 13.44303 -7.08976 -0.08048 DNA2 11 0.00000 703 23 CYT H4' 12.85887 -7.58047 -0.88813 DNA2 11 0.00000 704 23 CYT O4' 13.60085 -5.68421 -0.45238 DNA2 11 0.00000 705 23 CYT C1' 14.94708 -5.28888 -0.27220 DNA2 11 0.00000 706 23 CYT H1' 15.33822 -5.07683 -1.29022 DNA2 11 0.00000 707 23 CYT N1 14.95142 -4.06134 0.56947 DNA2 11 0.00000 708 23 CYT C6 14.85404 -4.13368 1.92127 DNA2 11 0.00000 709 23 CYT H6 14.76943 -5.13116 2.35253 DNA2 11 0.00000 710 23 CYT C2 15.05571 -2.83066 -0.07503 DNA2 11 0.00000 711 23 CYT O2 15.14491 -2.80727 -1.30888 DNA2 11 0.00000 712 23 CYT N3 15.06182 -1.65053 0.86937 DNA2 11 0.00000 713 23 CYT C4 14.96586 -1.76089 2.00812 DNA2 11 0.00000 714 23 CYT N4 14.97369 -0.62710 2.69139 DNA2 11 0.00000 715 23 CYT H41 15.06088 0.24485 2.18920 DNA2 11 0.00000 716 23 CYT H42 14.89393 -0.63126 3.69823 DNA2 11 0.00000 717 23 CYT C5 14.86234 -3.01234 2.69314 DNA2 11 0.00000 718 23 CYT H5 14.79615 -3.00963 3.78112 DNA2 11 0.00000 719 23 CYT C2' 15.70113 -6.45900 0.34487 DNA2 11 0.00000 720 23 CYT H2'' 15.66164 -6.35861 1.45062 DNA2 11 0.00000 721 23 CYT H2' 16.71104 -6.50827 -0.11554 DNA2 11 0.00000 722 23 CYT C3' 14.86474 -7.64706 -0.10202 DNA2 11 0.00000 723 23 CYT H3' 14.97178 -8.44967 0.65869 DNA2 11 0.00000 724 23 CYT O3' 15.26957 -8.03801 -1.41161 DNA2 11 0.00000 725 24 GUA P 16.82176 -8.06804 -1.77572 DNA2 12 0.00000 726 24 GUA O1P 17.08145 -9.13029 -2.76656 DNA2 12 0.00000 727 24 GUA O2P 17.61500 -8.14039 -0.52463 DNA2 12 0.00000 728 24 GUA O5' 17.01862 -6.63594 -2.44582 DNA2 12 0.00000 729 24 GUA C5' 16.06149 -6.19310 -3.44080 DNA2 12 0.00000 730 24 GUA H5' 15.32231 -5.51224 -2.96713 DNA2 12 0.00000 731 24 GUA H5'' 15.66569 -7.07278 -3.99201 DNA2 12 0.00000 732 24 GUA C4' 16.76073 -5.35328 -4.48528 DNA2 12 0.00000 733 24 GUA H4' 16.15543 -5.28022 -5.41404 DNA2 12 0.00000 734 24 GUA O4' 16.92035 -3.99593 -3.96393 DNA2 12 0.00000 735 24 GUA C1' 18.27296 -3.77215 -3.61553 DNA2 12 0.00000 736 24 GUA H1' 18.64311 -2.99985 -4.32325 DNA2 12 0.00000 737 24 GUA N9 18.30442 -3.27309 -2.21452 DNA2 12 0.00000 738 24 GUA C4 18.39535 -1.95213 -1.83888 DNA2 12 0.00000 739 24 GUA N3 18.47601 -0.89297 -2.68761 DNA2 12 0.00000 740 24 GUA C2 18.56289 0.26780 -2.04251 DNA2 12 0.00000 741 24 GUA N1 18.55881 0.37742 -0.66742 DNA2 12 0.00000 742 24 GUA H1 18.61898 1.32460 -0.26724 DNA2 12 0.00000 743 24 GUA N2 18.65035 1.41300 -2.72513 DNA2 12 0.00000 744 24 GUA H21 18.72029 2.34501 -2.34228 DNA2 12 0.00000 745 24 GUA H22 18.64607 1.33872 -3.73238 DNA2 12 0.00000 746 24 GUA C6 18.47893 -0.70280 0.22904 DNA2 12 0.00000 747 24 GUA O6 18.49093 -0.48737 1.44071 DNA2 12 0.00000 748 24 GUA C5 18.39476 -1.93632 -0.45536 DNA2 12 0.00000 749 24 GUA N7 18.30312 -3.23805 0.04080 DNA2 12 0.00000 750 24 GUA C8 18.25083 -3.98411 -1.03342 DNA2 12 0.00000 751 24 GUA H8 18.17208 -5.07069 -1.06868 DNA2 12 0.00000 752 24 GUA C2' 19.03199 -5.07587 -3.81993 DNA2 12 0.00000 753 24 GUA H2'' 19.01735 -5.64447 -2.86557 DNA2 12 0.00000 754 24 GUA H2' 20.03123 -4.83817 -4.24341 DNA2 12 0.00000 755 24 GUA C3' 18.17761 -5.78064 -4.86103 DNA2 12 0.00000 756 24 GUA H3' 18.29609 -6.87622 -4.71970 DNA2 12 0.00000 757 24 GUA O3' 18.55095 -5.32572 -6.16008 DNA2 12 0.00000 758 24 GUA H3T 19.48553 -5.13572 -6.26985 DNA2 12 0.00000 759 25 TIP3 OH2 2.60629 -5.91867 -4.57522 SOLV 1 -4.57522 760 25 TIP3 H1 2.13300 -6.07011 -3.71645 SOLV 1 -3.71645 761 25 TIP3 H2 3.42135 -6.40882 -4.33913 SOLV 1 -4.33913 762 26 TIP3 OH2 1.19465 3.50756 -7.90671 SOLV 2 -7.90671 763 26 TIP3 H1 1.69822 4.02423 -7.23080 SOLV 2 -7.23080 764 26 TIP3 H2 1.67065 3.74117 -8.71326 SOLV 2 -8.71326 765 27 TIP3 OH2 -2.96046 -8.49348 3.41353 SOLV 3 3.41353 766 27 TIP3 H1 -2.62347 -9.09612 2.74384 SOLV 3 2.74384 767 27 TIP3 H2 -2.15449 -8.25919 3.89745 SOLV 3 3.89745 768 28 TIP3 OH2 4.52204 -2.55199 9.34789 SOLV 4 9.34789 769 28 TIP3 H1 5.48329 -2.41810 9.58105 SOLV 4 9.58105 770 28 TIP3 H2 4.49360 -1.80659 8.71726 SOLV 4 8.71726 771 29 TIP3 OH2 6.97382 8.50603 9.03408 SOLV 5 9.03408 772 29 TIP3 H1 7.49549 8.74080 8.27089 SOLV 5 8.27089 773 29 TIP3 H2 7.65487 7.86596 9.42276 SOLV 5 9.42276 774 30 TIP3 OH2 8.85552 -6.64807 3.35569 SOLV 7 3.35569 775 30 TIP3 H1 9.49223 -7.36922 3.26230 SOLV 7 3.26230 776 30 TIP3 H2 9.38006 -5.93323 2.87538 SOLV 7 2.87538 777 31 TIP3 OH2 -0.08685 -4.30121 -3.88393 SOLV 8 -3.88393 778 31 TIP3 H1 -1.00773 -4.50185 -4.15570 SOLV 8 -4.15570 779 31 TIP3 H2 -0.27004 -3.68706 -3.14000 SOLV 8 -3.14000 780 32 TIP3 OH2 -8.71209 -7.79280 -8.92521 SOLV 9 -8.92521 781 32 TIP3 H1 -8.67978 -6.81318 -9.19177 SOLV 9 -9.19177 782 32 TIP3 H2 -9.01650 -8.18651 -9.73966 SOLV 9 -9.73966 783 33 TIP3 OH2 6.90654 -8.50443 3.90488 SOLV 10 3.90488 784 33 TIP3 H1 7.29967 -7.60364 4.05349 SOLV 10 4.05349 785 33 TIP3 H2 7.74581 -9.13563 4.00740 SOLV 10 4.00740 786 34 TIP3 OH2 3.28156 -3.58976 -7.11992 SOLV 11 -7.11992 787 34 TIP3 H1 3.33105 -2.96974 -7.86724 SOLV 11 -7.86724 788 34 TIP3 H2 3.67924 -4.43964 -7.47625 SOLV 11 -7.47625 789 35 TIP3 OH2 -0.53654 -5.51799 8.57174 SOLV 12 8.57174 790 35 TIP3 H1 0.05250 -5.88911 9.22300 SOLV 12 9.22300 791 35 TIP3 H2 -0.05229 -4.71284 8.30477 SOLV 12 8.30477 792 36 TIP3 OH2 -4.65756 9.12089 -0.62609 SOLV 13 -0.62609 793 36 TIP3 H1 -4.80236 8.63262 0.20350 SOLV 13 0.20350 794 36 TIP3 H2 -5.48541 8.90455 -1.07407 SOLV 13 -1.07407 795 37 TIP3 OH2 -6.24792 -4.68709 -7.21332 SOLV 15 -7.21332 796 37 TIP3 H1 -6.76800 -5.50700 -6.91651 SOLV 15 -6.91651 797 37 TIP3 H2 -6.89818 -4.24063 -7.82872 SOLV 15 -7.82872 798 38 TIP3 OH2 -5.33895 0.13724 1.68744 SOLV 16 1.68744 799 38 TIP3 H1 -5.33287 0.90316 1.08381 SOLV 16 1.08381 800 38 TIP3 H2 -4.45702 -0.17494 1.67706 SOLV 16 1.67706 801 39 TIP3 OH2 -2.33492 1.63780 -9.71410 SOLV 17 -9.71410 802 39 TIP3 H1 -2.05063 2.12276 -8.92722 SOLV 17 -8.92722 803 39 TIP3 H2 -2.75792 0.73382 -9.40723 SOLV 17 -9.40723 804 40 TIP3 OH2 7.76373 -8.25423 0.95036 SOLV 18 0.95036 805 40 TIP3 H1 7.08594 -7.52762 0.87570 SOLV 18 0.87570 806 40 TIP3 H2 7.44189 -8.84790 1.62934 SOLV 18 1.62934 807 41 TIP3 OH2 -8.88236 -2.22113 7.97777 SOLV 20 7.97777 808 41 TIP3 H1 -8.32998 -3.01810 8.09289 SOLV 20 8.09289 809 41 TIP3 H2 -8.36075 -1.64434 7.45562 SOLV 20 7.45562 810 42 TIP3 OH2 -0.28351 7.58671 -2.66253 SOLV 21 -2.66253 811 42 TIP3 H1 -1.15348 7.26448 -2.35555 SOLV 21 -2.35555 812 42 TIP3 H2 0.34813 7.29752 -1.93149 SOLV 21 -1.93149 813 43 TIP3 OH2 -1.39188 2.81827 -7.45380 SOLV 22 -7.45380 814 43 TIP3 H1 -1.25230 3.22037 -6.55556 SOLV 22 -6.55556 815 43 TIP3 H2 -0.40509 3.04000 -7.59167 SOLV 22 -7.59167 816 44 TIP3 OH2 -7.73042 -2.39179 -8.21229 SOLV 23 -8.21229 817 44 TIP3 H1 -8.59948 -2.01572 -8.37507 SOLV 23 -8.37507 818 44 TIP3 H2 -7.09521 -1.64399 -7.99940 SOLV 23 -7.99940 819 45 TIP3 OH2 0.12283 0.32007 7.56097 SOLV 25 7.56097 820 45 TIP3 H1 -0.15161 1.13355 7.92156 SOLV 25 7.92156 821 45 TIP3 H2 -0.21030 -0.33255 8.22401 SOLV 25 8.22401 822 46 TIP3 OH2 -9.28354 -3.87258 1.91213 SOLV 28 1.91213 823 46 TIP3 H1 -9.19595 -3.43733 2.76007 SOLV 28 2.76007 824 46 TIP3 H2 -8.41416 -4.36472 1.88151 SOLV 28 1.88151 825 47 TIP3 OH2 9.26574 7.87379 -4.26716 SOLV 30 -4.26716 826 47 TIP3 H1 9.56323 7.52745 -5.13790 SOLV 30 -5.13790 827 47 TIP3 H2 8.53444 8.42567 -4.53899 SOLV 30 -4.53899 828 48 TIP3 OH2 4.42331 -2.96096 3.13287 SOLV 31 3.13287 829 48 TIP3 H1 5.34101 -2.83369 3.56942 SOLV 31 3.56942 830 48 TIP3 H2 4.53019 -3.14165 2.14840 SOLV 31 2.14840 831 49 TIP3 OH2 -5.93160 5.06386 6.39041 SOLV 33 6.39041 832 49 TIP3 H1 -5.56818 4.39425 5.84034 SOLV 33 5.84034 833 49 TIP3 H2 -6.47008 4.59542 7.04034 SOLV 33 7.04034 834 50 TIP3 OH2 -7.28661 -7.21211 -2.67828 SOLV 35 -2.67828 835 50 TIP3 H1 -7.63255 -7.50128 -1.75205 SOLV 35 -1.75205 836 50 TIP3 H2 -8.12453 -6.97378 -3.11385 SOLV 35 -3.11385 837 51 TIP3 OH2 4.82541 -0.59008 -5.61531 SOLV 36 -5.61531 838 51 TIP3 H1 4.64295 -1.54521 -5.90320 SOLV 36 -5.90320 839 51 TIP3 H2 4.76683 -0.04501 -6.43737 SOLV 36 -6.43737 840 52 TIP3 OH2 -2.54104 -0.51664 -6.63381 SOLV 37 -6.63381 841 52 TIP3 H1 -2.43350 -0.64163 -5.66312 SOLV 37 -5.66312 842 52 TIP3 H2 -3.29537 0.03671 -6.75952 SOLV 37 -6.75952 843 53 TIP3 OH2 9.55870 5.59754 7.98367 SOLV 39 7.98367 844 53 TIP3 H1 9.49216 6.11315 8.82304 SOLV 39 8.82304 845 53 TIP3 H2 9.01974 4.86092 8.18323 SOLV 39 8.18323 846 54 TIP3 OH2 -7.47990 7.25424 -6.84457 SOLV 40 -6.84457 847 54 TIP3 H1 -7.14834 7.93702 -7.38398 SOLV 40 -7.38398 848 54 TIP3 H2 -6.66128 6.72451 -6.78329 SOLV 40 -6.78329 849 55 TIP3 OH2 -7.44690 -5.65270 1.69507 SOLV 41 1.69507 850 55 TIP3 H1 -7.43414 -5.57285 0.72784 SOLV 41 0.72784 851 55 TIP3 H2 -6.58171 -6.03041 1.91754 SOLV 41 1.91754 852 56 TIP3 OH2 6.85734 -5.24611 1.85451 SOLV 42 1.85451 853 56 TIP3 H1 7.49332 -4.55521 1.85663 SOLV 42 1.85663 854 56 TIP3 H2 6.95026 -5.69356 2.67008 SOLV 42 2.67008 855 57 TIP3 OH2 7.67829 3.88463 -9.16371 SOLV 43 -9.16371 856 57 TIP3 H1 6.98901 3.92428 -9.82940 SOLV 43 -9.82940 857 57 TIP3 H2 7.33576 4.47686 -8.47162 SOLV 43 -8.47162 858 58 TIP3 OH2 -0.45739 3.23299 -0.75896 SOLV 44 -0.75896 859 58 TIP3 H1 -1.34827 3.23893 -1.14256 SOLV 44 -1.14256 860 58 TIP3 H2 -0.68889 3.65579 0.09739 SOLV 44 0.09739 861 59 TIP3 OH2 -4.54344 7.27725 -7.22681 SOLV 45 -7.22681 862 59 TIP3 H1 -5.04406 8.10617 -7.15066 SOLV 45 -7.15066 863 59 TIP3 H2 -3.83284 7.48130 -7.82766 SOLV 45 -7.82766 864 60 TIP3 OH2 -8.23592 -5.21886 8.27698 SOLV 47 8.27698 865 60 TIP3 H1 -7.30740 -5.03319 8.13469 SOLV 47 8.13469 866 60 TIP3 H2 -8.60853 -5.31678 7.38819 SOLV 47 7.38819 867 61 TIP3 OH2 6.21233 1.38310 -6.97557 SOLV 48 -6.97557 868 61 TIP3 H1 5.80884 1.51720 -7.83795 SOLV 48 -7.83795 869 61 TIP3 H2 7.09600 1.80788 -7.11832 SOLV 48 -7.11832 870 62 TIP3 OH2 -4.78408 -6.26688 -3.36842 SOLV 49 -3.36842 871 62 TIP3 H1 -4.74115 -6.89687 -4.07814 SOLV 49 -4.07814 872 62 TIP3 H2 -5.75214 -6.46810 -3.27368 SOLV 49 -3.27368 873 63 TIP3 OH2 0.14663 -1.54519 -9.05665 SOLV 50 -9.05665 874 63 TIP3 H1 0.61678 -2.37499 -9.36568 SOLV 50 -9.36568 875 63 TIP3 H2 -0.70175 -1.90122 -9.04090 SOLV 50 -9.04090 876 64 TIP3 OH2 3.99076 -7.42771 7.31190 SOLV 51 7.31190 877 64 TIP3 H1 3.27060 -8.05690 7.64958 SOLV 51 7.64958 878 64 TIP3 H2 3.94669 -7.62497 6.38537 SOLV 51 6.38537 879 65 TIP3 OH2 8.91927 -0.46554 -8.42472 SOLV 52 -8.42472 880 65 TIP3 H1 8.64312 0.23254 -7.87420 SOLV 52 -7.87420 881 65 TIP3 H2 9.47801 -0.04733 -9.14438 SOLV 52 -9.14438 882 66 TIP3 OH2 -0.69948 7.02329 -5.33629 SOLV 55 -5.33629 883 66 TIP3 H1 -0.48888 6.10029 -5.51669 SOLV 55 -5.51669 884 66 TIP3 H2 -0.21234 7.23038 -4.54278 SOLV 55 -4.54278 885 67 TIP3 OH2 -0.14068 -4.37304 -6.79403 SOLV 56 -6.79403 886 67 TIP3 H1 -0.49724 -5.26518 -6.57339 SOLV 56 -6.57339 887 67 TIP3 H2 -0.76719 -4.14789 -7.49560 SOLV 56 -7.49560 888 68 TIP3 OH2 7.69096 -8.14999 -2.38996 SOLV 58 -2.38996 889 68 TIP3 H1 8.40452 -7.63414 -2.66199 SOLV 58 -2.66199 890 68 TIP3 H2 7.41752 -8.55328 -3.23953 SOLV 58 -3.23953 891 69 TIP3 OH2 7.16346 -9.18490 -5.17726 SOLV 59 -5.17726 892 69 TIP3 H1 7.14589 -8.43252 -5.85762 SOLV 59 -5.85762 893 69 TIP3 H2 6.27733 -9.00195 -4.87719 SOLV 59 -4.87719 894 70 TIP3 OH2 0.52265 -0.71540 -2.35296 SOLV 61 -2.35296 895 70 TIP3 H1 1.16419 -0.26591 -2.96884 SOLV 61 -2.96884 896 70 TIP3 H2 0.98203 -0.66985 -1.48200 SOLV 61 -1.48200 897 71 TIP3 OH2 -3.30309 -7.08919 -0.91240 SOLV 63 -0.91240 898 71 TIP3 H1 -3.87120 -7.88711 -0.86507 SOLV 63 -0.86507 899 71 TIP3 H2 -3.36795 -6.89297 -1.86117 SOLV 63 -1.86117 900 72 TIP3 OH2 -5.07531 -7.00480 1.99151 SOLV 64 1.99151 901 72 TIP3 H1 -4.28579 -7.51256 2.39199 SOLV 64 2.39199 902 72 TIP3 H2 -4.54856 -6.54407 1.36547 SOLV 64 1.36547 903 73 TIP3 OH2 4.63101 6.20976 7.91502 SOLV 65 7.91502 904 73 TIP3 H1 4.01762 6.83697 7.52957 SOLV 65 7.52957 905 73 TIP3 H2 4.61472 6.61528 8.81665 SOLV 65 8.81665 906 74 TIP3 OH2 -5.66691 -8.28679 7.87215 SOLV 66 7.87215 907 74 TIP3 H1 -5.70352 -7.67939 7.14547 SOLV 66 7.14547 908 74 TIP3 H2 -5.63052 -9.09672 7.38089 SOLV 66 7.38089 909 75 TIP3 OH2 1.31930 3.46080 -3.01256 SOLV 67 -3.01256 910 75 TIP3 H1 2.10504 3.17945 -2.55793 SOLV 67 -2.55793 911 75 TIP3 H2 0.56917 3.18625 -2.45368 SOLV 67 -2.45368 912 76 TIP3 OH2 6.56503 -4.79879 7.95186 SOLV 69 7.95186 913 76 TIP3 H1 7.13990 -5.28217 8.51006 SOLV 69 8.51006 914 76 TIP3 H2 6.69488 -3.87711 8.30046 SOLV 69 8.30046 915 77 TIP3 OH2 9.03917 7.02129 -8.37383 SOLV 71 -8.37383 916 77 TIP3 H1 8.43727 6.62935 -7.74716 SOLV 71 -7.74716 917 77 TIP3 H2 9.81986 7.20406 -7.81180 SOLV 71 -7.81180 918 78 TIP3 OH2 7.12234 8.08153 -0.87268 SOLV 72 -0.87268 919 78 TIP3 H1 7.33706 9.02419 -1.20096 SOLV 72 -1.20096 920 78 TIP3 H2 6.43163 8.42744 -0.17425 SOLV 72 -0.17425 921 79 TIP3 OH2 1.45710 -6.33433 -8.45226 SOLV 75 -8.45226 922 79 TIP3 H1 1.11304 -5.99146 -7.57083 SOLV 75 -7.57083 923 79 TIP3 H2 2.41953 -6.28868 -8.14402 SOLV 75 -8.14402 924 80 TIP3 OH2 4.98760 -9.39439 0.18750 SOLV 78 0.18750 925 80 TIP3 H1 4.80891 -8.39814 0.17378 SOLV 78 0.17378 926 80 TIP3 H2 4.48062 -9.54246 0.95805 SOLV 78 0.95805 927 81 TIP3 OH2 4.75976 3.42998 -5.44878 SOLV 79 -5.44878 928 81 TIP3 H1 3.91754 3.14391 -5.71163 SOLV 79 -5.71163 929 81 TIP3 H2 5.28830 2.91366 -6.03100 SOLV 79 -6.03100 930 82 TIP3 OH2 1.38019 -3.48124 8.35065 SOLV 80 8.35065 931 82 TIP3 H1 2.16322 -4.07192 8.44120 SOLV 80 8.44120 932 82 TIP3 H2 1.54222 -3.27995 7.41017 SOLV 80 7.41017 933 83 TIP3 OH2 -0.42878 8.28034 7.32292 SOLV 82 7.32292 934 83 TIP3 H1 -0.23370 8.58947 8.19473 SOLV 82 8.19473 935 83 TIP3 H2 0.04655 8.88095 6.74633 SOLV 82 6.74633 936 84 TIP3 OH2 -6.26155 3.53564 2.54506 SOLV 83 2.54506 937 84 TIP3 H1 -6.47940 4.04194 1.75897 SOLV 83 1.75897 938 84 TIP3 H2 -5.90588 2.75399 2.18926 SOLV 83 2.18926 939 85 TIP3 OH2 -0.30908 -8.48098 -3.15131 SOLV 86 -3.15131 940 85 TIP3 H1 -0.53515 -9.43046 -2.90255 SOLV 86 -2.90255 941 85 TIP3 H2 0.62562 -8.46468 -2.85402 SOLV 86 -2.85402 942 86 TIP3 OH2 -8.26068 3.31977 -4.23051 SOLV 87 -4.23051 943 86 TIP3 H1 -7.55344 2.66012 -3.85005 SOLV 87 -3.85005 944 86 TIP3 H2 -8.98994 2.68658 -4.26617 SOLV 87 -4.26617 945 87 TIP3 OH2 -4.53613 1.13273 -6.24968 SOLV 91 -6.24968 946 87 TIP3 H1 -4.43034 1.29701 -5.32859 SOLV 91 -5.32859 947 87 TIP3 H2 -4.50223 2.01465 -6.67686 SOLV 91 -6.67686 948 88 TIP3 OH2 7.64722 -6.61838 -6.55872 SOLV 92 -6.55872 949 88 TIP3 H1 7.95316 -7.09588 -7.40708 SOLV 92 -7.40708 950 88 TIP3 H2 7.50164 -5.80549 -7.02448 SOLV 92 -7.02448 951 89 TIP3 OH2 -0.22410 3.98316 -5.30958 SOLV 93 -5.30958 952 89 TIP3 H1 0.68210 4.05769 -5.74705 SOLV 93 -5.74705 953 89 TIP3 H2 0.08861 3.88259 -4.38180 SOLV 93 -4.38180 954 90 TIP3 OH2 -7.29474 5.74742 0.83402 SOLV 94 0.83402 955 90 TIP3 H1 -7.57488 5.12279 0.06904 SOLV 94 0.06904 956 90 TIP3 H2 -7.99624 6.38769 0.72093 SOLV 94 0.72093 957 91 TIP3 OH2 -2.40236 -0.28694 3.87727 SOLV 95 3.87727 958 91 TIP3 H1 -1.86980 -0.98513 3.31563 SOLV 95 3.31563 959 91 TIP3 H2 -3.19671 -0.75427 4.03349 SOLV 95 4.03349 960 92 TIP3 OH2 6.46823 1.61227 3.37587 SOLV 97 3.37587 961 92 TIP3 H1 6.35265 2.55300 3.28987 SOLV 97 3.28987 962 92 TIP3 H2 7.47167 1.55834 3.42009 SOLV 97 3.42009 963 93 TIP3 OH2 -5.56453 -4.22868 7.82673 SOLV 99 7.82673 964 93 TIP3 H1 -4.62338 -4.56042 7.77328 SOLV 99 7.77328 965 93 TIP3 H2 -5.51391 -3.72490 6.99464 SOLV 99 6.99464 966 94 TIP3 OH2 0.81914 -8.76855 -9.42202 SOLV 100 -9.42202 967 94 TIP3 H1 0.48099 -9.26238 -8.62933 SOLV 100 -8.62933 968 94 TIP3 H2 0.77191 -7.89854 -9.06161 SOLV 100 -9.06161 969 95 TIP3 OH2 -6.47625 -0.07953 -7.79213 SOLV 101 -7.79213 970 95 TIP3 H1 -6.91579 0.73864 -7.95419 SOLV 101 -7.95419 971 95 TIP3 H2 -5.68323 0.10046 -7.25150 SOLV 101 -7.25150 972 96 TIP3 OH2 5.57822 -7.67832 9.54858 SOLV 103 9.54858 973 96 TIP3 H1 5.22120 -7.64712 8.63523 SOLV 103 8.63523 974 96 TIP3 H2 6.06462 -8.51864 9.55010 SOLV 103 9.55010 975 97 TIP3 OH2 2.82513 -3.35846 5.51938 SOLV 104 5.51938 976 97 TIP3 H1 3.40074 -3.73273 6.22292 SOLV 104 6.22292 977 97 TIP3 H2 3.46782 -3.14510 4.80840 SOLV 104 4.80840 978 98 TIP3 OH2 0.64226 8.98118 -6.74649 SOLV 105 -6.74649 979 98 TIP3 H1 0.14150 8.27307 -6.32128 SOLV 105 -6.32128 980 98 TIP3 H2 1.51419 8.49564 -6.84168 SOLV 105 -6.84168 981 99 TIP3 OH2 5.68694 1.64154 -3.50533 SOLV 106 -3.50533 982 99 TIP3 H1 5.71605 1.76621 -2.52225 SOLV 106 -2.52225 983 99 TIP3 H2 5.41793 2.55808 -3.83164 SOLV 106 -3.83164 984 100 TIP3 OH2 -7.23353 -3.28732 -5.07511 SOLV 107 -5.07511 985 100 TIP3 H1 -6.60832 -3.64884 -5.69241 SOLV 107 -5.69241 986 100 TIP3 H2 -7.87195 -3.86278 -5.18589 SOLV 107 -5.18589 987 101 TIP3 OH2 2.40307 0.27335 -4.26603 SOLV 109 -4.26603 988 101 TIP3 H1 3.06505 0.14247 -4.89952 SOLV 109 -4.89952 989 101 TIP3 H2 2.60179 1.18328 -3.98700 SOLV 109 -3.98700 990 102 TIP3 OH2 -5.33045 -2.14756 -3.55422 SOLV 111 -3.55422 991 102 TIP3 H1 -5.75816 -1.64017 -2.91816 SOLV 111 -2.91816 992 102 TIP3 H2 -5.93710 -2.91563 -3.84638 SOLV 111 -3.84638 993 103 TIP3 OH2 -2.24436 -2.63915 -8.41119 SOLV 114 -8.41119 994 103 TIP3 H1 -2.38640 -1.76357 -7.99651 SOLV 114 -7.99651 995 103 TIP3 H2 -2.66002 -3.24656 -7.76713 SOLV 114 -7.76713 996 104 TIP3 OH2 -3.92412 6.52625 3.66401 SOLV 115 3.66401 997 104 TIP3 H1 -3.56006 7.11650 4.36348 SOLV 115 4.36348 998 104 TIP3 H2 -3.39559 6.73019 2.82279 SOLV 115 2.82279 999 105 TIP3 OH2 6.20590 -6.40567 -0.57975 SOLV 116 -0.57975 1000 105 TIP3 H1 6.80722 -6.83705 -1.20238 SOLV 116 -1.20238 1001 105 TIP3 H2 6.68240 -5.64371 -0.35564 SOLV 116 -0.35564 1002 106 TIP3 OH2 3.69952 -4.78268 7.73643 SOLV 118 7.73643 1003 106 TIP3 H1 3.76787 -5.75574 7.66704 SOLV 118 7.66704 1004 106 TIP3 H2 4.68638 -4.63404 7.81122 SOLV 118 7.81122 1005 107 TIP3 OH2 -0.75145 4.75910 1.88050 SOLV 119 1.88050 1006 107 TIP3 H1 -0.64601 4.29430 2.74910 SOLV 119 2.74910 1007 107 TIP3 H2 0.16886 4.83465 1.66375 SOLV 119 1.66375 1008 108 TIP3 OH2 4.97351 4.36831 -2.18215 SOLV 120 -2.18215 1009 108 TIP3 H1 4.70627 3.43531 -1.87066 SOLV 120 -1.87066 1010 108 TIP3 H2 5.82326 4.34418 -1.80082 SOLV 120 -1.80082 1011 109 TIP3 OH2 -3.62618 -4.95848 -6.86148 SOLV 121 -6.86148 1012 109 TIP3 H1 -4.58603 -4.77426 -7.06761 SOLV 121 -7.06761 1013 109 TIP3 H2 -3.49174 -5.81350 -7.36225 SOLV 121 -7.36225 1014 110 TIP3 OH2 2.87413 7.74488 -6.27687 SOLV 122 -6.27687 1015 110 TIP3 H1 3.33419 7.27910 -5.54147 SOLV 122 -5.54147 1016 110 TIP3 H2 3.58247 7.74690 -6.91972 SOLV 122 -6.91972 1017 111 TIP3 OH2 4.20242 6.48766 -4.23920 SOLV 123 -4.23920 1018 111 TIP3 H1 4.24242 5.74474 -3.68804 SOLV 123 -3.68804 1019 111 TIP3 H2 4.55921 7.12616 -3.60600 SOLV 123 -3.60600 1020 112 TIP3 OH2 5.01163 7.22642 -7.90960 SOLV 124 -7.90960 1021 112 TIP3 H1 5.63924 7.80473 -8.41417 SOLV 124 -8.41417 1022 112 TIP3 H2 5.67790 6.62967 -7.44200 SOLV 124 -7.44200 1023 113 TIP3 OH2 9.55532 7.76625 0.39072 SOLV 126 0.39072 1024 113 TIP3 H1 8.60421 7.79258 0.18225 SOLV 126 0.18225 1025 113 TIP3 H2 9.83375 8.74788 0.39527 SOLV 126 0.39527 1026 114 TIP3 OH2 -2.93321 8.01018 5.64842 SOLV 127 5.64842 1027 114 TIP3 H1 -2.10829 7.77139 6.19391 SOLV 127 6.19391 1028 114 TIP3 H2 -3.13943 8.96213 5.78693 SOLV 127 5.78693 1029 115 TIP3 OH2 4.30517 7.14124 -1.42184 SOLV 128 -1.42184 1030 115 TIP3 H1 5.02234 6.50190 -1.48308 SOLV 128 -1.48308 1031 115 TIP3 H2 4.73226 7.84840 -0.95192 SOLV 128 -0.95192 1032 116 TIP3 OH2 -2.16348 4.68028 6.56918 SOLV 129 6.56918 1033 116 TIP3 H1 -2.71247 5.11975 5.85111 SOLV 129 5.85111 1034 116 TIP3 H2 -2.83336 4.62782 7.26854 SOLV 129 7.26854 1035 117 TIP3 OH2 -3.43335 -0.84835 -1.28253 SOLV 131 -1.28253 1036 117 TIP3 H1 -3.73175 -0.07463 -1.73507 SOLV 131 -1.73507 1037 117 TIP3 H2 -3.20690 -0.52579 -0.39205 SOLV 131 -0.39205 1038 118 TIP3 OH2 -6.02137 7.74450 2.33715 SOLV 132 2.33715 1039 118 TIP3 H1 -6.49767 6.88438 2.08910 SOLV 132 2.08910 1040 118 TIP3 H2 -5.51981 7.35846 3.13938 SOLV 132 3.13938 1041 119 TIP3 OH2 6.35286 5.26283 -6.87501 SOLV 134 -6.87501 1042 119 TIP3 H1 5.52646 5.07850 -6.39657 SOLV 134 -6.39657 1043 119 TIP3 H2 7.05885 5.07732 -6.20932 SOLV 134 -6.20932 1044 120 TIP3 OH2 6.73510 -0.14476 1.31736 SOLV 135 1.31736 1045 120 TIP3 H1 7.12837 -0.92580 1.79097 SOLV 135 1.79097 1046 120 TIP3 H2 6.57448 0.46691 2.09557 SOLV 135 2.09557 1047 121 TIP3 OH2 2.45333 4.89117 -5.92977 SOLV 136 -5.92977 1048 121 TIP3 H1 2.97518 5.03404 -5.08523 SOLV 136 -5.08523 1049 121 TIP3 H2 2.30516 5.81405 -6.21844 SOLV 136 -6.21844 1050 122 TIP3 OH2 -3.03595 -4.23891 -4.17028 SOLV 137 -4.17028 1051 122 TIP3 H1 -3.79243 -4.76905 -3.93495 SOLV 137 -3.93495 1052 122 TIP3 H2 -3.05724 -4.31856 -5.19134 SOLV 137 -5.19134 1053 123 TIP3 OH2 -4.07789 3.95594 4.38171 SOLV 138 4.38171 1054 123 TIP3 H1 -3.93205 4.88282 4.11386 SOLV 138 4.11386 1055 123 TIP3 H2 -4.34847 3.60167 3.54265 SOLV 138 3.54265 1056 124 TIP3 OH2 -5.24701 7.70474 6.92255 SOLV 139 6.92255 1057 124 TIP3 H1 -5.49531 6.75226 7.04381 SOLV 139 7.04381 1058 124 TIP3 H2 -4.49098 7.63093 6.27021 SOLV 139 6.27021 1059 125 TIP3 OH2 -6.53508 -9.22338 -8.16876 SOLV 140 -8.16876 1060 125 TIP3 H1 -7.23909 -8.57598 -8.47016 SOLV 140 -8.47016 1061 125 TIP3 H2 -6.17562 -9.34760 -9.06458 SOLV 140 -9.06458 1062 126 TIP3 OH2 6.02855 4.06492 7.28642 SOLV 141 7.28642 1063 126 TIP3 H1 5.37161 4.82946 7.34972 SOLV 141 7.34972 1064 126 TIP3 H2 6.66177 4.37252 6.61601 SOLV 141 6.61601 1065 127 TIP3 OH2 0.32913 -2.15447 5.21960 SOLV 142 5.21960 1066 127 TIP3 H1 -0.32883 -2.84791 5.45588 SOLV 142 5.45588 1067 127 TIP3 H2 1.02569 -2.62105 4.93201 SOLV 142 4.93201 1068 128 TIP3 OH2 8.74424 9.00357 7.18787 SOLV 144 7.18787 1069 128 TIP3 H1 9.52394 8.40885 7.26902 SOLV 144 7.26902 1070 128 TIP3 H2 8.52813 8.97545 6.29454 SOLV 144 6.29454 1071 129 TIP3 OH2 7.32085 5.23782 0.15282 SOLV 145 0.15282 1072 129 TIP3 H1 7.64460 4.41086 -0.18930 SOLV 145 -0.18930 1073 129 TIP3 H2 7.88679 5.89644 -0.32596 SOLV 145 -0.32596 1074 130 TIP3 OH2 -5.53559 4.65204 -6.45209 SOLV 146 -6.45209 1075 130 TIP3 H1 -5.30498 5.49013 -6.77609 SOLV 146 -6.77609 1076 130 TIP3 H2 -4.64164 4.45004 -6.09231 SOLV 146 -6.09231 1077 131 TIP3 OH2 -8.29045 -8.05081 -0.24201 SOLV 148 -0.24201 1078 131 TIP3 H1 -7.93325 -8.09924 0.61937 SOLV 148 0.61937 1079 131 TIP3 H2 -9.21806 -8.02817 0.04072 SOLV 148 0.04072 1080 132 TIP3 OH2 -8.23993 7.11385 5.92640 SOLV 149 5.92640 1081 132 TIP3 H1 -7.95263 6.64489 6.69602 SOLV 149 6.69602 1082 132 TIP3 H2 -7.92783 6.49299 5.28377 SOLV 149 5.28377 1083 133 TIP3 OH2 -7.81504 5.46113 3.81299 SOLV 150 3.81299 1084 133 TIP3 H1 -7.09858 4.77379 3.74379 SOLV 150 3.74379 1085 133 TIP3 H2 -7.66823 5.96492 2.92412 SOLV 150 2.92412 1086 134 TIP3 OH2 -2.46203 6.71323 9.40821 SOLV 152 9.40821 1087 134 TIP3 H1 -1.75682 6.62294 8.74808 SOLV 152 8.74808 1088 134 TIP3 H2 -1.99138 7.37719 9.95425 SOLV 152 9.95425 1089 135 TIP3 OH2 0.67205 -1.77744 -6.00410 SOLV 156 -6.00410 1090 135 TIP3 H1 0.34116 -1.89933 -6.87826 SOLV 156 -6.87826 1091 135 TIP3 H2 0.75642 -0.82416 -6.03905 SOLV 156 -6.03905 1092 136 TIP3 OH2 8.39407 2.22393 5.94168 SOLV 158 5.94168 1093 136 TIP3 H1 8.72441 2.32513 6.81368 SOLV 158 6.81368 1094 136 TIP3 H2 7.59879 1.73781 6.01250 SOLV 158 6.01250 1095 137 TIP3 OH2 3.01159 1.52996 -6.78555 SOLV 160 -6.78555 1096 137 TIP3 H1 3.47185 1.50522 -7.58297 SOLV 160 -7.58297 1097 137 TIP3 H2 2.11424 1.86097 -7.06675 SOLV 160 -7.06675 1098 138 TIP3 OH2 1.24679 9.11300 5.24557 SOLV 161 5.24557 1099 138 TIP3 H1 1.59203 8.22976 5.51270 SOLV 161 5.51270 1100 138 TIP3 H2 1.53588 9.18222 4.29199 SOLV 161 4.29199 1101 139 TIP3 OH2 4.30512 -8.82044 4.59754 SOLV 164 4.59754 1102 139 TIP3 H1 5.23611 -8.74811 4.30762 SOLV 164 4.30762 1103 139 TIP3 H2 4.33417 -9.45579 5.33684 SOLV 164 5.33684 1104 140 TIP3 OH2 1.43229 9.33264 -0.10595 SOLV 165 -0.10595 1105 140 TIP3 H1 1.76577 9.67650 0.71139 SOLV 165 0.71139 1106 140 TIP3 H2 1.62843 8.40978 0.01075 SOLV 165 0.01075 1107 141 TIP3 OH2 -9.06782 8.97932 4.27976 SOLV 166 4.27976 1108 141 TIP3 H1 -8.59841 8.29226 4.78178 SOLV 166 4.78178 1109 141 TIP3 H2 -8.39382 9.22834 3.60723 SOLV 166 3.60723 1110 142 TIP3 OH2 3.16444 8.84039 8.07923 SOLV 167 8.07923 1111 142 TIP3 H1 2.26969 9.18517 8.33392 SOLV 167 8.33392 1112 142 TIP3 H2 3.75593 8.99386 8.83609 SOLV 167 8.83609 1113 143 TIP3 OH2 -2.22069 2.00823 6.13406 SOLV 171 6.13406 1114 143 TIP3 H1 -2.16409 2.97151 5.88380 SOLV 171 5.88380 1115 143 TIP3 H2 -2.33183 2.15265 7.09817 SOLV 171 7.09817 1116 144 TIP3 OH2 3.82010 -6.18485 4.02389 SOLV 173 4.02389 1117 144 TIP3 H1 4.59217 -5.76469 4.44871 SOLV 173 4.44871 1118 144 TIP3 H2 4.07517 -7.15684 4.05166 SOLV 173 4.05166 1119 145 TIP3 OH2 5.80366 4.55440 4.06850 SOLV 174 4.06850 1120 145 TIP3 H1 6.60168 4.92287 4.58014 SOLV 174 4.58014 1121 145 TIP3 H2 5.07405 4.73971 4.65757 SOLV 174 4.65757 1122 146 TIP3 OH2 -3.48472 4.17585 8.97861 SOLV 179 8.97861 1123 146 TIP3 H1 -3.41851 5.10048 9.29040 SOLV 179 9.29040 1124 146 TIP3 H2 -2.84242 3.69801 9.57477 SOLV 179 9.57477 1125 147 TIP3 OH2 8.04649 3.28525 -1.82466 SOLV 180 -1.82466 1126 147 TIP3 H1 7.94430 3.13251 -2.79318 SOLV 180 -2.79318 1127 147 TIP3 H2 8.55517 2.47917 -1.66884 SOLV 180 -1.66884 1128 148 TIP3 OH2 2.74098 -0.41635 8.04239 SOLV 181 8.04239 1129 148 TIP3 H1 1.90616 0.04156 7.76435 SOLV 181 7.76435 1130 148 TIP3 H2 2.40951 -1.17595 8.57871 SOLV 181 8.57871 1131 149 TIP3 OH2 8.70615 6.18140 -2.36766 SOLV 183 -2.36766 1132 149 TIP3 H1 8.03660 6.71625 -1.91411 SOLV 183 -1.91411 1133 149 TIP3 H2 9.05663 6.80556 -3.00085 SOLV 183 -3.00085 1134 150 TIP3 OH2 -7.25912 -8.59979 2.52399 SOLV 184 2.52399 1135 150 TIP3 H1 -6.46995 -8.06573 2.62742 SOLV 184 2.62742 1136 150 TIP3 H2 -6.80741 -9.47160 2.28887 SOLV 184 2.28887 1137 151 TIP3 OH2 4.03061 -6.43018 -7.28060 SOLV 185 -7.28060 1138 151 TIP3 H1 4.71339 -6.88834 -7.83076 SOLV 185 -7.83076 1139 151 TIP3 H2 3.77041 -7.15071 -6.66431 SOLV 185 -6.66431 1140 152 TIP3 OH2 -4.90792 -8.13304 -5.42020 SOLV 186 -5.42020 1141 152 TIP3 H1 -4.20134 -8.75726 -5.18236 SOLV 186 -5.18236 1142 152 TIP3 H2 -4.61414 -7.88429 -6.31160 SOLV 186 -6.31160 1143 153 TIP3 OH2 2.92149 -2.74515 -3.83632 SOLV 187 -3.83632 1144 153 TIP3 H1 2.86565 -1.78690 -3.85291 SOLV 187 -3.85291 1145 153 TIP3 H2 3.46993 -2.85268 -2.97587 SOLV 187 -2.97587 1146 154 TIP3 OH2 2.38178 -8.31900 -2.56517 SOLV 188 -2.56517 1147 154 TIP3 H1 2.19556 -8.74192 -1.65727 SOLV 188 -1.65727 1148 154 TIP3 H2 3.10749 -7.70698 -2.24562 SOLV 188 -2.24562 1149 155 TIP3 OH2 -3.57169 1.14944 -3.57377 SOLV 189 -3.57377 1150 155 TIP3 H1 -2.80890 0.61786 -3.90664 SOLV 189 -3.90664 1151 155 TIP3 H2 -3.09443 1.94550 -3.11824 SOLV 189 -3.11824 1152 156 TIP3 OH2 -2.39795 9.38750 -5.06022 SOLV 193 -5.06022 1153 156 TIP3 H1 -1.83101 8.56819 -4.74641 SOLV 193 -4.74641 1154 156 TIP3 H2 -1.75514 10.03784 -4.89897 SOLV 193 -4.89897 1155 157 TIP3 OH2 0.15268 -6.86432 -5.81098 SOLV 194 -5.81098 1156 157 TIP3 H1 1.05051 -6.78923 -5.40725 SOLV 194 -5.40725 1157 157 TIP3 H2 -0.08950 -7.82725 -5.84229 SOLV 194 -5.84229 1158 158 TIP3 OH2 -4.68428 1.15431 6.01085 SOLV 196 6.01085 1159 158 TIP3 H1 -3.71077 1.24289 6.20780 SOLV 196 6.20780 1160 158 TIP3 H2 -4.79301 1.78369 5.27083 SOLV 196 5.27083 1161 159 TIP3 OH2 -7.53056 -4.23411 -1.08113 SOLV 197 -1.08113 1162 159 TIP3 H1 -7.59601 -5.05558 -1.54567 SOLV 197 -1.54567 1163 159 TIP3 H2 -6.57810 -3.98848 -1.19418 SOLV 197 -1.19418 1164 160 TIP3 OH2 -4.70129 -4.20338 -1.63530 SOLV 198 -1.63530 1165 160 TIP3 H1 -4.14505 -4.72657 -0.99814 SOLV 198 -0.99814 1166 160 TIP3 H2 -4.75924 -4.84087 -2.38745 SOLV 198 -2.38745 1167 161 TIP3 OH2 8.35577 4.95182 -5.00243 SOLV 199 -5.00243 1168 161 TIP3 H1 9.04510 4.31066 -5.15511 SOLV 199 -5.15511 1169 161 TIP3 H2 8.60959 5.30927 -4.12930 SOLV 199 -4.12930 1170 162 TIP3 OH2 -2.88382 4.47743 -4.79848 SOLV 200 -4.79848 1171 162 TIP3 H1 -2.87250 5.38056 -4.46444 SOLV 200 -4.46444 1172 162 TIP3 H2 -1.98624 4.37535 -5.05708 SOLV 200 -5.05708 1173 163 TIP3 OH2 -7.22669 -6.94206 -6.12904 SOLV 201 -6.12904 1174 163 TIP3 H1 -7.71252 -7.76062 -6.45894 SOLV 201 -6.45894 1175 163 TIP3 H2 -6.40422 -7.34894 -5.81645 SOLV 201 -5.81645 1176 164 TIP3 OH2 2.43614 6.78945 3.01034 SOLV 202 3.01034 1177 164 TIP3 H1 2.69898 7.65392 2.83505 SOLV 202 2.83505 1178 164 TIP3 H2 2.27074 6.32366 2.19945 SOLV 202 2.19945 1179 165 TIP3 OH2 5.88240 -4.73204 5.29077 SOLV 205 5.29077 1180 165 TIP3 H1 5.98384 -3.74354 5.32102 SOLV 205 5.32102 1181 165 TIP3 H2 6.14035 -5.02749 6.16455 SOLV 205 6.16455 1182 166 TIP3 OH2 8.93792 -6.43175 -4.11513 SOLV 207 -4.11513 1183 166 TIP3 H1 8.96695 -6.79442 -5.07533 SOLV 207 -5.07533 1184 166 TIP3 H2 8.24791 -5.74293 -4.13853 SOLV 207 -4.13853 1185 167 TIP3 OH2 -7.61862 4.18847 -1.35880 SOLV 208 -1.35880 1186 167 TIP3 H1 -8.43998 4.37476 -1.88420 SOLV 208 -1.88420 1187 167 TIP3 H2 -6.95846 4.59144 -1.98917 SOLV 208 -1.98917 1188 168 TIP3 OH2 -1.77651 -1.03349 -4.08455 SOLV 209 -4.08455 1189 168 TIP3 H1 -1.05506 -0.58146 -3.58595 SOLV 209 -3.58595 1190 168 TIP3 H2 -1.32188 -1.69559 -4.60975 SOLV 209 -4.60975 1191 169 TIP3 OH2 8.10881 5.36555 5.18954 SOLV 210 5.18954 1192 169 TIP3 H1 8.77803 4.89033 4.64366 SOLV 210 4.64366 1193 169 TIP3 H2 8.67593 6.08160 5.51012 SOLV 210 5.51012 1194 170 TIP3 OH2 -4.23668 -7.34486 -8.27265 SOLV 211 -8.27265 1195 170 TIP3 H1 -4.08136 -7.20310 -9.21183 SOLV 211 -9.21183 1196 170 TIP3 H2 -4.96168 -7.99626 -8.36018 SOLV 211 -8.36018 1197 171 TIP3 OH2 -2.11487 -9.26682 -7.93210 SOLV 215 -7.93210 1198 171 TIP3 H1 -2.68680 -8.47480 -7.94094 SOLV 215 -7.94094 1199 171 TIP3 H2 -2.04165 -9.53119 -6.94032 SOLV 215 -6.94032 1200 172 SOD SOD -0.70992 -0.20692 5.58941 SOLV 217 5.58941 1201 173 SOD SOD -3.21138 -2.43307 -2.65820 SOLV 218 -2.65820 1202 174 SOD SOD 6.69064 0.31837 -4.81973 SOLV 219 -4.81973 1203 175 SOD SOD 1.51232 -3.76721 -5.40347 SOLV 220 -5.40347 1204 176 TIP3 OH2 -27.74824 -13.05593 -10.66980 SOLV 221 -10.66980 1205 176 TIP3 H1 -27.81478 -12.54032 -9.83043 SOLV 221 -9.83043 1206 176 TIP3 H2 -28.28720 -13.79255 -10.47024 SOLV 221 -10.47024 1207 177 TIP3 OH2 -28.56270 -9.64990 -11.46560 SOLV 222 -11.46560 1208 177 TIP3 H1 -27.78300 -10.24462 -11.38445 SOLV 222 -11.38445 1209 177 TIP3 H2 -28.77881 -9.67802 -12.35893 SOLV 222 -12.35893 1210 178 TIP3 OH2 -28.91287 -16.42954 -12.71179 SOLV 223 -12.71179 1211 178 TIP3 H1 -28.58253 -16.32834 -11.83979 SOLV 223 -11.83979 1212 178 TIP3 H2 -29.70815 -16.91566 -12.64097 SOLV 223 -12.64097 1213 179 TIP3 OH2 -29.19813 -13.28792 -13.46393 SOLV 224 -13.46393 1214 179 TIP3 H1 -28.52891 -13.76314 -14.00981 SOLV 224 -14.00981 1215 179 TIP3 H2 -28.63101 -12.57187 -13.14335 SOLV 224 -13.14335 1216 180 TIP3 OH2 -28.45142 -6.64807 -15.29778 SOLV 225 -15.29778 1217 180 TIP3 H1 -27.81471 -7.36922 -15.39117 SOLV 225 -15.39117 1218 180 TIP3 H2 -27.92688 -5.93323 -15.77809 SOLV 225 -15.77809 1219 181 TIP3 OH2 -29.54321 -8.25423 -17.70311 SOLV 226 -17.70311 1220 181 TIP3 H1 -30.22100 -7.52762 -17.77777 SOLV 226 -17.77777 1221 181 TIP3 H2 -29.86505 -8.84790 -17.02413 SOLV 226 -17.02413 1222 182 TIP3 OH2 -27.74824 5.59754 -10.66980 SOLV 227 -10.66980 1223 182 TIP3 H1 -27.81478 6.11315 -9.83043 SOLV 227 -9.83043 1224 182 TIP3 H2 -28.28720 4.86092 -10.47024 SOLV 227 -10.47024 1225 183 TIP3 OH2 -28.05454 -5.19317 -12.85558 SOLV 228 -12.85558 1226 183 TIP3 H1 -27.80110 -5.87255 -13.45327 SOLV 228 -13.45327 1227 183 TIP3 H2 -29.01870 -4.99724 -13.19972 SOLV 228 -13.19972 1228 184 TIP3 OH2 -28.56270 9.00357 -11.46560 SOLV 229 -11.46560 1229 184 TIP3 H1 -27.78300 8.40885 -11.38445 SOLV 229 -11.38445 1230 184 TIP3 H2 -28.77881 8.97545 -12.35893 SOLV 229 -12.35893 1231 185 TIP3 OH2 -28.91287 2.22393 -12.71179 SOLV 230 -12.71179 1232 185 TIP3 H1 -28.58253 2.32513 -11.83979 SOLV 230 -11.83979 1233 185 TIP3 H2 -29.70815 1.73781 -12.64097 SOLV 230 -12.64097 1234 186 TIP3 OH2 -29.19813 5.36555 -13.46393 SOLV 231 -13.46393 1235 186 TIP3 H1 -28.52891 4.89033 -14.00981 SOLV 231 -14.00981 1236 186 TIP3 H2 -28.63101 6.08160 -13.14335 SOLV 231 -13.14335 1237 187 TIP3 OH2 -28.45142 12.00540 -15.29778 SOLV 232 -15.29778 1238 187 TIP3 H1 -27.81471 11.28425 -15.39117 SOLV 232 -15.39117 1239 187 TIP3 H2 -27.92688 12.72024 -15.77809 SOLV 232 -15.77809 1240 188 TIP3 OH2 -29.54321 10.39924 -17.70311 SOLV 233 -17.70311 1241 188 TIP3 H1 -30.22100 11.12585 -17.77777 SOLV 233 -17.77777 1242 188 TIP3 H2 -29.86505 9.80557 -17.02413 SOLV 233 -17.02413 1243 189 TIP3 OH2 -28.05454 13.46030 -12.85558 SOLV 234 -12.85558 1244 189 TIP3 H1 -27.80110 12.78092 -13.45327 SOLV 234 -13.45327 1245 189 TIP3 H2 -29.01870 13.65623 -13.19972 SOLV 234 -13.19972 1246 190 TIP3 OH2 -11.67965 -10.14744 -9.61939 SOLV 235 -9.61939 1247 190 TIP3 H1 -11.15798 -9.91267 -10.38258 SOLV 235 -10.38258 1248 190 TIP3 H2 -10.99860 -10.78751 -9.23071 SOLV 235 -9.23071 1249 191 TIP3 OH2 -20.99999 -11.76858 -17.65611 SOLV 236 -17.65611 1250 191 TIP3 H1 -20.30163 -11.01166 -17.58476 SOLV 236 -17.58476 1251 191 TIP3 H2 -20.49799 -12.49531 -17.26129 SOLV 236 -17.26129 1252 192 TIP3 OH2 -24.58507 -13.58961 -12.26306 SOLV 237 -12.26306 1253 192 TIP3 H1 -24.22165 -14.25922 -12.81313 SOLV 237 -12.81313 1254 192 TIP3 H2 -25.12355 -14.05805 -11.61313 SOLV 237 -11.61313 1255 193 TIP3 OH2 -9.09477 -13.05593 -10.66980 SOLV 238 -10.66980 1256 193 TIP3 H1 -9.16131 -12.54032 -9.83043 SOLV 238 -9.83043 1257 193 TIP3 H2 -9.63373 -13.79255 -10.47024 SOLV 238 -10.47024 1258 194 TIP3 OH2 -13.89011 -17.81468 -9.13705 SOLV 239 -9.13705 1259 194 TIP3 H1 -13.39676 -17.62749 -10.05264 SOLV 239 -10.05264 1260 194 TIP3 H2 -14.76571 -18.18392 -9.48511 SOLV 239 -9.48511 1261 195 TIP3 OH2 -27.71130 -16.33147 -15.30538 SOLV 240 -15.30538 1262 195 TIP3 H1 -28.08717 -16.43312 -14.42515 SOLV 240 -14.42515 1263 195 TIP3 H2 -27.36623 -15.40996 -15.34928 SOLV 240 -15.34928 1264 196 TIP3 OH2 -14.02246 -12.44371 -10.73845 SOLV 241 -10.73845 1265 196 TIP3 H1 -14.63585 -11.81650 -11.12390 SOLV 241 -11.12390 1266 196 TIP3 H2 -14.03875 -12.03819 -9.83682 SOLV 241 -9.83682 1267 197 TIP3 OH2 -21.57015 -16.30365 -16.13027 SOLV 242 -16.13027 1268 197 TIP3 H1 -21.42494 -16.67193 -15.24959 SOLV 242 -15.24959 1269 197 TIP3 H2 -20.95356 -15.60797 -16.06976 SOLV 242 -16.06976 1270 198 TIP3 OH2 -18.05404 -13.91271 -12.32897 SOLV 243 -12.32897 1271 198 TIP3 H1 -19.06379 -13.79861 -12.31195 SOLV 243 -12.31195 1272 198 TIP3 H2 -17.69851 -14.22978 -11.47518 SOLV 243 -11.47518 1273 199 TIP3 OH2 -16.36285 -14.26915 -17.21140 SOLV 244 -17.21140 1274 199 TIP3 H1 -15.41898 -14.34778 -17.28871 SOLV 244 -17.28871 1275 199 TIP3 H2 -16.46860 -15.22610 -17.15087 SOLV 244 -17.15087 1276 200 TIP3 OH2 -19.08225 -10.37313 -11.33055 SOLV 245 -11.33055 1277 200 TIP3 H1 -18.88717 -10.06400 -10.45874 SOLV 245 -10.45874 1278 200 TIP3 H2 -18.60692 -9.77252 -11.90714 SOLV 245 -11.90714 1279 201 TIP3 OH2 -24.91502 -15.11783 -16.10841 SOLV 246 -16.10841 1280 201 TIP3 H1 -25.13287 -14.61153 -16.89450 SOLV 246 -16.89450 1281 201 TIP3 H2 -24.55935 -15.89948 -16.46421 SOLV 246 -16.46421 1282 202 TIP3 OH2 -15.83286 -16.36380 -12.50033 SOLV 247 -12.50033 1283 202 TIP3 H1 -15.95007 -17.02542 -13.14421 SOLV 247 -13.14421 1284 202 TIP3 H2 -15.67290 -15.57946 -12.96487 SOLV 247 -12.96487 1285 203 TIP3 OH2 -25.94821 -12.90605 -17.81945 SOLV 248 -17.81945 1286 203 TIP3 H1 -26.22835 -13.53068 -18.58443 SOLV 248 -18.58443 1287 203 TIP3 H2 -26.64971 -12.26578 -17.93254 SOLV 248 -17.93254 1288 204 TIP3 OH2 -12.18524 -17.04120 -15.27760 SOLV 249 -15.27760 1289 204 TIP3 H1 -12.30082 -16.10047 -15.36360 SOLV 249 -15.36360 1290 204 TIP3 H2 -11.18180 -17.09513 -15.23338 SOLV 249 -15.23338 1291 205 TIP3 OH2 -12.96807 -17.35369 -11.89853 SOLV 250 -11.89853 1292 205 TIP3 H1 -13.90955 -17.37965 -11.96053 SOLV 250 -11.96053 1293 205 TIP3 H2 -12.83191 -16.34927 -11.83046 SOLV 250 -11.83046 1294 206 TIP3 OH2 -16.07557 -14.50026 -10.31084 SOLV 251 -10.31084 1295 206 TIP3 H1 -15.28343 -14.07014 -10.47616 SOLV 251 -10.47616 1296 206 TIP3 H2 -15.82194 -15.33421 -10.81122 SOLV 251 -10.81122 1297 207 TIP3 OH2 -17.36058 -17.00447 -17.56787 SOLV 252 -17.56787 1298 207 TIP3 H1 -17.84198 -16.62822 -18.30975 SOLV 252 -18.30975 1299 207 TIP3 H2 -17.14721 -17.88788 -17.88035 SOLV 252 -17.88035 1300 208 TIP3 OH2 -22.57759 -12.12722 -14.98946 SOLV 253 -14.98946 1301 208 TIP3 H1 -22.21353 -11.53697 -14.28999 SOLV 253 -14.28999 1302 208 TIP3 H2 -22.04906 -11.92328 -15.83068 SOLV 253 -15.83068 1303 209 TIP3 OH2 -19.40492 -13.89437 -16.77297 SOLV 254 -16.77297 1304 209 TIP3 H1 -19.29948 -14.35917 -15.90437 SOLV 254 -15.90437 1305 209 TIP3 H2 -18.48461 -13.81882 -16.98972 SOLV 254 -16.98972 1306 210 TIP3 OH2 -21.58668 -10.64329 -13.00505 SOLV 255 -13.00505 1307 210 TIP3 H1 -20.76176 -10.88208 -12.45956 SOLV 255 -12.45956 1308 210 TIP3 H2 -21.79290 -9.69134 -12.86654 SOLV 255 -12.86654 1309 211 TIP3 OH2 -20.81695 -13.97319 -12.08429 SOLV 256 -12.08429 1310 211 TIP3 H1 -21.36594 -13.53372 -12.80236 SOLV 256 -12.80236 1311 211 TIP3 H2 -21.48683 -14.02565 -11.38493 SOLV 256 -11.38493 1312 212 TIP3 OH2 -24.67484 -10.90897 -16.31632 SOLV 257 -16.31632 1313 212 TIP3 H1 -25.15114 -11.76909 -16.56437 SOLV 257 -16.56437 1314 212 TIP3 H2 -24.17328 -11.29501 -15.51409 SOLV 257 -15.51409 1315 213 TIP3 OH2 -22.73136 -14.69753 -14.27176 SOLV 258 -14.27176 1316 213 TIP3 H1 -22.58552 -13.77065 -14.53961 SOLV 258 -14.53961 1317 213 TIP3 H2 -23.00194 -15.05180 -15.11082 SOLV 258 -15.11082 1318 214 TIP3 OH2 -23.90048 -10.94873 -11.73092 SOLV 259 -11.73092 1319 214 TIP3 H1 -24.14878 -11.90121 -11.60966 SOLV 259 -11.60966 1320 214 TIP3 H2 -23.14445 -11.02254 -12.38326 SOLV 259 -12.38326 1321 215 TIP3 OH2 -12.62492 -14.58855 -11.36705 SOLV 260 -11.36705 1322 215 TIP3 H1 -13.28186 -13.82401 -11.30375 SOLV 260 -11.30375 1323 215 TIP3 H2 -11.99170 -14.28095 -12.03746 SOLV 260 -12.03746 1324 216 TIP3 OH2 -9.90923 -9.64990 -11.46560 SOLV 261 -11.46560 1325 216 TIP3 H1 -9.12953 -10.24462 -11.38445 SOLV 261 -11.38445 1326 216 TIP3 H2 -10.12534 -9.67802 -12.35893 SOLV 261 -12.35893 1327 217 TIP3 OH2 -18.03730 -17.78004 -14.55871 SOLV 262 -14.55871 1328 217 TIP3 H1 -17.15082 -18.27800 -14.63912 SOLV 262 -14.63912 1329 217 TIP3 H2 -18.07158 -17.39889 -15.40532 SOLV 262 -15.40532 1330 218 TIP3 OH2 -26.89340 -11.53962 -12.72707 SOLV 263 -12.72707 1331 218 TIP3 H1 -26.60610 -12.00858 -11.95745 SOLV 263 -11.95745 1332 218 TIP3 H2 -26.58130 -12.16048 -13.36970 SOLV 263 -13.36970 1333 219 TIP3 OH2 -26.46851 -13.19234 -14.84048 SOLV 264 -14.84048 1334 219 TIP3 H1 -25.75205 -13.87968 -14.90968 SOLV 264 -14.90968 1335 219 TIP3 H2 -26.32170 -12.68855 -15.72935 SOLV 264 -15.72935 1336 220 TIP3 OH2 -21.11550 -11.94024 -9.24526 SOLV 265 -9.24526 1337 220 TIP3 H1 -20.41029 -12.03053 -9.90539 SOLV 265 -9.90539 1338 220 TIP3 H2 -20.64485 -11.27628 -8.69922 SOLV 265 -8.69922 1339 221 TIP3 OH2 -10.25940 -16.42954 -12.71179 SOLV 266 -12.71179 1340 221 TIP3 H1 -9.92906 -16.32834 -11.83979 SOLV 266 -11.83979 1341 221 TIP3 H2 -11.05468 -16.91566 -12.64097 SOLV 266 -12.64097 1342 222 TIP3 OH2 -13.55630 -14.60168 -17.15716 SOLV 267 -17.15716 1343 222 TIP3 H1 -13.19703 -14.45370 -16.23305 SOLV 267 -16.23305 1344 222 TIP3 H2 -12.85386 -13.96455 -17.54786 SOLV 267 -17.54786 1345 223 TIP3 OH2 -17.40668 -9.54047 -13.40790 SOLV 268 -13.40790 1346 223 TIP3 H1 -17.06144 -10.42371 -13.14077 SOLV 268 -13.14077 1347 223 TIP3 H2 -17.11759 -9.47125 -14.36148 SOLV 268 -14.36148 1348 224 TIP3 OH2 -27.72129 -9.67415 -14.37371 SOLV 269 -14.37371 1349 224 TIP3 H1 -27.25188 -10.36121 -13.87169 SOLV 269 -13.87169 1350 224 TIP3 H2 -27.04729 -9.42513 -15.04624 SOLV 269 -15.04624 1351 225 TIP3 OH2 -15.48903 -9.81308 -10.57424 SOLV 270 -10.57424 1352 225 TIP3 H1 -16.38378 -9.46830 -10.31955 SOLV 270 -10.31955 1353 225 TIP3 H2 -14.89754 -9.65961 -9.81738 SOLV 270 -9.81738 1354 226 TIP3 OH2 -20.87416 -16.64524 -12.51941 SOLV 271 -12.51941 1355 226 TIP3 H1 -20.81756 -15.68196 -12.76967 SOLV 271 -12.76967 1356 226 TIP3 H2 -20.98530 -16.50082 -11.55530 SOLV 271 -11.55530 1357 227 TIP3 OH2 -12.84981 -14.09907 -14.58497 SOLV 272 -14.58497 1358 227 TIP3 H1 -12.05179 -13.73060 -14.07333 SOLV 272 -14.07333 1359 227 TIP3 H2 -13.57942 -13.91376 -13.99590 SOLV 272 -13.99590 1360 228 TIP3 OH2 -24.47419 -16.01296 -10.40759 SOLV 273 -10.40759 1361 228 TIP3 H1 -24.12183 -16.69342 -11.00564 SOLV 273 -11.00564 1362 228 TIP3 H2 -23.68686 -15.47896 -10.13037 SOLV 273 -10.13037 1363 229 TIP3 OH2 -27.23235 -17.34876 -10.38502 SOLV 274 -10.38502 1364 229 TIP3 H1 -26.58702 -17.82464 -10.95872 SOLV 274 -10.95872 1365 229 TIP3 H2 -26.68068 -16.60449 -10.11384 SOLV 274 -10.11384 1366 230 TIP3 OH2 -22.13819 -14.47762 -9.67486 SOLV 275 -9.67486 1367 230 TIP3 H1 -22.07198 -13.55299 -9.36307 SOLV 275 -9.36307 1368 230 TIP3 H2 -21.49589 -14.95546 -9.07870 SOLV 275 -9.07870 1369 231 TIP3 OH2 -15.48213 -13.80015 -13.45303 SOLV 276 -13.45303 1370 231 TIP3 H1 -15.39400 -13.13174 -14.20562 SOLV 276 -14.20562 1371 231 TIP3 H2 -16.39756 -13.70453 -13.25380 SOLV 276 -13.25380 1372 232 TIP3 OH2 -23.33775 -17.49916 -12.64262 SOLV 277 -12.64262 1373 232 TIP3 H1 -22.36424 -17.41058 -12.44567 SOLV 277 -12.44567 1374 232 TIP3 H2 -23.44648 -16.86978 -13.38264 SOLV 277 -13.38264 1375 233 TIP3 OH2 -16.21733 -11.86402 -15.64313 SOLV 278 -15.64313 1376 233 TIP3 H1 -15.95449 -10.99955 -15.81842 SOLV 278 -15.81842 1377 233 TIP3 H2 -16.38273 -12.32981 -16.45402 SOLV 278 -16.45402 1378 234 TIP3 OH2 -10.54466 -13.28792 -13.46393 SOLV 279 -13.46393 1379 234 TIP3 H1 -9.87544 -13.76314 -14.00981 SOLV 279 -14.00981 1380 234 TIP3 H2 -9.97754 -12.57187 -13.14335 SOLV 279 -13.14335 1381 235 TIP3 OH2 -19.10973 -15.21798 -14.50987 SOLV 280 -14.50987 1382 235 TIP3 H1 -18.55219 -14.70730 -13.84803 SOLV 280 -13.84803 1383 235 TIP3 H2 -18.93617 -16.16116 -14.26309 SOLV 280 -14.26309 1384 236 TIP3 OH2 -21.61393 -8.49348 -15.23994 SOLV 281 -15.23994 1385 236 TIP3 H1 -21.27694 -9.09612 -15.90963 SOLV 281 -15.90963 1386 236 TIP3 H2 -20.80796 -8.25919 -14.75602 SOLV 281 -14.75602 1387 237 TIP3 OH2 -14.13143 -2.55199 -9.30558 SOLV 282 -9.30558 1388 237 TIP3 H1 -13.17018 -2.41810 -9.07242 SOLV 282 -9.07242 1389 237 TIP3 H2 -14.15987 -1.80659 -9.93621 SOLV 282 -9.93621 1390 238 TIP3 OH2 -11.67965 8.50603 -9.61939 SOLV 283 -9.61939 1391 238 TIP3 H1 -11.15798 8.74080 -10.38258 SOLV 283 -10.38258 1392 238 TIP3 H2 -10.99860 7.86596 -9.23071 SOLV 283 -9.23071 1393 239 TIP3 OH2 -9.79795 -6.64807 -15.29778 SOLV 284 -15.29778 1394 239 TIP3 H1 -9.16124 -7.36922 -15.39117 SOLV 284 -15.39117 1395 239 TIP3 H2 -9.27341 -5.93323 -15.77809 SOLV 284 -15.77809 1396 240 TIP3 OH2 -11.74693 -8.50443 -14.74859 SOLV 285 -14.74859 1397 240 TIP3 H1 -11.35380 -7.60364 -14.59998 SOLV 285 -14.59998 1398 240 TIP3 H2 -10.90766 -9.13563 -14.64607 SOLV 285 -14.64607 1399 241 TIP3 OH2 -19.19001 -5.51799 -10.08173 SOLV 286 -10.08173 1400 241 TIP3 H1 -18.60097 -5.88911 -9.43047 SOLV 286 -9.43047 1401 241 TIP3 H2 -18.70576 -4.71284 -10.34870 SOLV 286 -10.34870 1402 242 TIP3 OH2 -21.15026 0.21020 -17.78764 SOLV 287 -17.78764 1403 242 TIP3 H1 -21.52390 1.01096 -17.38183 SOLV 287 -17.38183 1404 242 TIP3 H2 -20.31936 0.14571 -17.34537 SOLV 287 -17.34537 1405 243 TIP3 OH2 -23.99242 0.13724 -16.96603 SOLV 288 -16.96603 1406 243 TIP3 H1 -23.98634 0.90316 -17.56966 SOLV 288 -17.56966 1407 243 TIP3 H2 -23.11049 -0.17494 -16.97641 SOLV 288 -16.97641 1408 244 TIP3 OH2 -10.88974 -8.25423 -17.70311 SOLV 289 -17.70311 1409 244 TIP3 H1 -11.56753 -7.52762 -17.77777 SOLV 289 -17.77777 1410 244 TIP3 H2 -11.21158 -8.84790 -17.02413 SOLV 289 -17.02413 1411 245 TIP3 OH2 -20.91120 -7.39696 -10.85681 SOLV 290 -10.85681 1412 245 TIP3 H1 -20.38432 -8.22079 -10.68459 SOLV 290 -10.68459 1413 245 TIP3 H2 -20.24480 -6.73256 -10.48683 SOLV 290 -10.48683 1414 246 TIP3 OH2 -27.53583 -2.22113 -10.67570 SOLV 291 -10.67570 1415 246 TIP3 H1 -26.98345 -3.01810 -10.56058 SOLV 291 -10.56058 1416 246 TIP3 H2 -27.01422 -1.64434 -11.19785 SOLV 291 -11.19785 1417 247 TIP3 OH2 -20.99999 6.88489 -17.65611 SOLV 292 -17.65611 1418 247 TIP3 H1 -20.30163 7.64181 -17.58476 SOLV 292 -17.58476 1419 247 TIP3 H2 -20.49799 6.15816 -17.26129 SOLV 292 -17.26129 1420 248 TIP3 OH2 -18.53064 0.32007 -11.09250 SOLV 293 -11.09250 1421 248 TIP3 H1 -18.80508 1.13355 -10.73191 SOLV 293 -10.73191 1422 248 TIP3 H2 -18.86377 -0.33255 -10.42946 SOLV 293 -10.42946 1423 249 TIP3 OH2 -27.93701 -3.87258 -16.74134 SOLV 294 -16.74134 1424 249 TIP3 H1 -27.84942 -3.43733 -15.89340 SOLV 294 -15.89340 1425 249 TIP3 H2 -27.06763 -4.36472 -16.77196 SOLV 294 -16.77196 1426 250 TIP3 OH2 -16.91312 -2.56676 -16.10162 SOLV 295 -16.10162 1427 250 TIP3 H1 -15.99227 -2.68801 -15.76880 SOLV 295 -15.76880 1428 250 TIP3 H2 -17.19826 -3.44040 -15.84481 SOLV 295 -15.84481 1429 251 TIP3 OH2 -14.23016 -2.96096 -15.52060 SOLV 296 -15.52060 1430 251 TIP3 H1 -13.31246 -2.83369 -15.08405 SOLV 296 -15.08405 1431 251 TIP3 H2 -14.12328 -3.14165 -16.50507 SOLV 296 -16.50507 1432 252 TIP3 OH2 -24.58507 5.06386 -12.26306 SOLV 297 -12.26306 1433 252 TIP3 H1 -24.22165 4.39425 -12.81313 SOLV 297 -12.81313 1434 252 TIP3 H2 -25.12355 4.59542 -11.61313 SOLV 297 -11.61313 1435 253 TIP3 OH2 -21.13047 -1.31052 -12.02871 SOLV 298 -12.02871 1436 253 TIP3 H1 -21.38003 -2.19872 -11.91884 SOLV 298 -11.91884 1437 253 TIP3 H2 -21.69910 -0.83845 -11.37656 SOLV 298 -11.37656 1438 254 TIP3 OH2 -18.88108 -4.13350 -17.99980 SOLV 299 -17.99980 1439 254 TIP3 H1 -19.05623 -4.78900 -18.68433 SOLV 299 -18.68433 1440 254 TIP3 H2 -17.97996 -3.93875 -18.03567 SOLV 299 -18.03567 1441 255 TIP3 OH2 -9.09477 5.59754 -10.66980 SOLV 300 -10.66980 1442 255 TIP3 H1 -9.16131 6.11315 -9.83043 SOLV 300 -9.83043 1443 255 TIP3 H2 -9.63373 4.86092 -10.47024 SOLV 300 -10.47024 1444 256 TIP3 OH2 -26.10037 -5.65270 -16.95840 SOLV 301 -16.95840 1445 256 TIP3 H1 -26.08761 -5.57285 -17.92563 SOLV 301 -17.92563 1446 256 TIP3 H2 -25.23518 -6.03041 -16.73593 SOLV 301 -16.73593 1447 257 TIP3 OH2 -11.79613 -5.24611 -16.79896 SOLV 302 -16.79896 1448 257 TIP3 H1 -11.16015 -4.55521 -16.79684 SOLV 302 -16.79684 1449 257 TIP3 H2 -11.70321 -5.69356 -15.98339 SOLV 302 -15.98339 1450 258 TIP3 OH2 -15.81383 -9.24789 -16.28561 SOLV 303 -16.28561 1451 258 TIP3 H1 -16.05694 -8.30474 -16.55631 SOLV 303 -16.55631 1452 258 TIP3 H2 -15.23398 -9.00147 -15.52982 SOLV 303 -15.52982 1453 259 TIP3 OH2 -26.88939 -5.21886 -10.37649 SOLV 304 -10.37649 1454 259 TIP3 H1 -25.96087 -5.03319 -10.51878 SOLV 304 -10.51878 1455 259 TIP3 H2 -27.26200 -5.31678 -11.26528 SOLV 304 -11.26528 1456 260 TIP3 OH2 -14.66271 -7.42771 -11.34157 SOLV 305 -11.34157 1457 260 TIP3 H1 -15.38287 -8.05690 -11.00389 SOLV 305 -11.00389 1458 260 TIP3 H2 -14.70678 -7.62497 -12.26810 SOLV 305 -12.26810 1459 261 TIP3 OH2 -19.96892 -4.31081 -13.96364 SOLV 306 -13.96364 1460 261 TIP3 H1 -20.83436 -4.40009 -14.48111 SOLV 306 -14.48111 1461 261 TIP3 H2 -19.61480 -5.25296 -14.06000 SOLV 306 -14.06000 1462 262 TIP3 OH2 -13.89011 0.83879 -9.13705 SOLV 307 -9.13705 1463 262 TIP3 H1 -13.39676 1.02598 -10.05264 SOLV 307 -10.05264 1464 262 TIP3 H2 -14.76571 0.46955 -9.48511 SOLV 307 -9.48511 1465 263 TIP3 OH2 -27.71130 2.32200 -15.30538 SOLV 308 -15.30538 1466 263 TIP3 H1 -28.08717 2.22035 -14.42515 SOLV 308 -14.42515 1467 263 TIP3 H2 -27.36623 3.24351 -15.34928 SOLV 308 -15.34928 1468 264 TIP3 OH2 -13.24206 -1.89986 -12.64154 SOLV 309 -12.64154 1469 264 TIP3 H1 -12.99863 -1.09066 -12.14970 SOLV 309 -12.14970 1470 264 TIP3 H2 -14.18281 -1.81433 -12.59439 SOLV 309 -12.59439 1471 265 TIP3 OH2 -23.72878 -7.00480 -16.66196 SOLV 310 -16.66196 1472 265 TIP3 H1 -22.93926 -7.51256 -16.26148 SOLV 310 -16.26148 1473 265 TIP3 H2 -23.20203 -6.54407 -17.28800 SOLV 310 -17.28800 1474 266 TIP3 OH2 -14.02246 6.20976 -10.73845 SOLV 311 -10.73845 1475 266 TIP3 H1 -14.63585 6.83697 -11.12390 SOLV 311 -11.12390 1476 266 TIP3 H2 -14.03875 6.61528 -9.83682 SOLV 311 -9.83682 1477 267 TIP3 OH2 -24.32038 -8.28679 -10.78132 SOLV 312 -10.78132 1478 267 TIP3 H1 -24.35699 -7.67939 -11.50800 SOLV 312 -11.50800 1479 267 TIP3 H2 -24.28399 -9.09672 -11.27258 SOLV 312 -11.27258 1480 268 TIP3 OH2 -11.50476 -1.84581 -14.94162 SOLV 313 -14.94162 1481 268 TIP3 H1 -11.92873 -1.33174 -14.23819 SOLV 313 -14.23819 1482 268 TIP3 H2 -10.57455 -1.81034 -14.56751 SOLV 313 -14.56751 1483 269 TIP3 OH2 -12.08844 -4.79879 -10.70161 SOLV 314 -10.70161 1484 269 TIP3 H1 -11.51357 -5.28217 -10.14341 SOLV 314 -10.14341 1485 269 TIP3 H2 -11.95859 -3.87711 -10.35301 SOLV 314 -10.35301 1486 270 TIP3 OH2 -23.61144 -0.85068 -9.98829 SOLV 315 -9.98829 1487 270 TIP3 H1 -24.27812 -0.51948 -9.34492 SOLV 315 -9.34492 1488 270 TIP3 H2 -23.67071 -1.76735 -9.88671 SOLV 315 -9.88671 1489 271 TIP3 OH2 -21.57015 2.34982 -16.13027 SOLV 316 -16.13027 1490 271 TIP3 H1 -21.42494 1.98154 -15.24959 SOLV 316 -15.24959 1491 271 TIP3 H2 -20.95356 3.04550 -16.06976 SOLV 316 -16.06976 1492 272 TIP3 OH2 -18.05404 4.74076 -12.32897 SOLV 317 -12.32897 1493 272 TIP3 H1 -19.06379 4.85486 -12.31195 SOLV 317 -12.31195 1494 272 TIP3 H2 -17.69851 4.42369 -11.47518 SOLV 317 -11.47518 1495 273 TIP3 OH2 -16.36285 4.38432 -17.21140 SOLV 318 -17.21140 1496 273 TIP3 H1 -15.41898 4.30569 -17.28871 SOLV 318 -17.28871 1497 273 TIP3 H2 -16.46860 3.42737 -17.15087 SOLV 318 -17.15087 1498 274 TIP3 OH2 -17.27328 -3.48124 -10.30282 SOLV 319 -10.30282 1499 274 TIP3 H1 -16.49025 -4.07192 -10.21227 SOLV 319 -10.21227 1500 274 TIP3 H2 -17.11125 -3.27995 -11.24330 SOLV 319 -11.24330 1501 275 TIP3 OH2 -9.40107 -5.19317 -12.85558 SOLV 320 -12.85558 1502 275 TIP3 H1 -9.14763 -5.87255 -13.45327 SOLV 320 -13.45327 1503 275 TIP3 H2 -10.36523 -4.99724 -13.19972 SOLV 320 -13.19972 1504 276 TIP3 OH2 -19.08225 8.28034 -11.33055 SOLV 321 -11.33055 1505 276 TIP3 H1 -18.88717 8.58947 -10.45874 SOLV 321 -10.45874 1506 276 TIP3 H2 -18.60692 8.88095 -11.90714 SOLV 321 -11.90714 1507 277 TIP3 OH2 -24.91502 3.53564 -16.10841 SOLV 322 -16.10841 1508 277 TIP3 H1 -25.13287 4.04194 -16.89450 SOLV 322 -16.89450 1509 277 TIP3 H2 -24.55935 2.75399 -16.46421 SOLV 322 -16.46421 1510 278 TIP3 OH2 -15.83286 2.28967 -12.50033 SOLV 323 -12.50033 1511 278 TIP3 H1 -15.95007 1.62805 -13.14421 SOLV 323 -13.14421 1512 278 TIP3 H2 -15.67290 3.07401 -12.96487 SOLV 323 -12.96487 1513 279 TIP3 OH2 -25.94821 5.74742 -17.81945 SOLV 324 -17.81945 1514 279 TIP3 H1 -26.22835 5.12279 -18.58443 SOLV 324 -18.58443 1515 279 TIP3 H2 -26.64971 6.38769 -17.93254 SOLV 324 -17.93254 1516 280 TIP3 OH2 -21.05583 -0.28694 -14.77620 SOLV 325 -14.77620 1517 280 TIP3 H1 -20.52327 -0.98513 -15.33784 SOLV 325 -15.33784 1518 280 TIP3 H2 -21.85018 -0.75427 -14.61998 SOLV 325 -14.61998 1519 281 TIP3 OH2 -12.18524 1.61227 -15.27760 SOLV 326 -15.27760 1520 281 TIP3 H1 -12.30082 2.55300 -15.36360 SOLV 326 -15.36360 1521 281 TIP3 H2 -11.18180 1.55834 -15.23338 SOLV 326 -15.23338 1522 282 TIP3 OH2 -12.96807 1.29978 -11.89853 SOLV 327 -11.89853 1523 282 TIP3 H1 -13.90955 1.27382 -11.96053 SOLV 327 -11.96053 1524 282 TIP3 H2 -12.83191 2.30420 -11.83046 SOLV 327 -11.83046 1525 283 TIP3 OH2 -24.21800 -4.22868 -10.82674 SOLV 328 -10.82674 1526 283 TIP3 H1 -23.27685 -4.56042 -10.88019 SOLV 328 -10.88019 1527 283 TIP3 H2 -24.16738 -3.72490 -11.65883 SOLV 328 -11.65883 1528 284 TIP3 OH2 -25.54548 0.23042 -14.45156 SOLV 329 -14.45156 1529 284 TIP3 H1 -24.90599 -0.10180 -15.10281 SOLV 329 -15.10281 1530 284 TIP3 H2 -25.57349 1.21151 -14.45682 SOLV 329 -14.45682 1531 285 TIP3 OH2 -15.82834 -3.35846 -13.13409 SOLV 331 -13.13409 1532 285 TIP3 H1 -15.25273 -3.73273 -12.43055 SOLV 331 -12.43055 1533 285 TIP3 H2 -15.18565 -3.14510 -13.84507 SOLV 331 -13.84507 1534 286 TIP3 OH2 -15.16777 0.38770 -15.24589 SOLV 332 -15.24589 1535 286 TIP3 H1 -15.33733 0.54902 -16.11640 SOLV 332 -16.11640 1536 286 TIP3 H2 -14.23083 0.57076 -15.18487 SOLV 332 -15.18487 1537 287 TIP3 OH2 -16.07557 4.15321 -10.31084 SOLV 334 -10.31084 1538 287 TIP3 H1 -15.28343 4.58333 -10.47616 SOLV 334 -10.47616 1539 287 TIP3 H2 -15.82194 3.31926 -10.81122 SOLV 334 -10.81122 1540 288 TIP3 OH2 -17.36058 1.64900 -17.56787 SOLV 335 -17.56787 1541 288 TIP3 H1 -17.84198 2.02525 -18.30975 SOLV 335 -18.30975 1542 288 TIP3 H2 -17.14721 0.76559 -17.88035 SOLV 335 -17.88035 1543 289 TIP3 OH2 -22.57759 6.52625 -14.98946 SOLV 336 -14.98946 1544 289 TIP3 H1 -22.21353 7.11650 -14.28999 SOLV 336 -14.28999 1545 289 TIP3 H2 -22.04906 6.73019 -15.83068 SOLV 336 -15.83068 1546 290 TIP3 OH2 -19.66312 -1.91856 -16.46222 SOLV 337 -16.46222 1547 290 TIP3 H1 -18.73728 -1.85388 -16.17111 SOLV 337 -16.17111 1548 290 TIP3 H2 -19.66543 -2.60145 -17.16902 SOLV 337 -17.16902 1549 291 TIP3 OH2 -14.95395 -4.78268 -10.91704 SOLV 338 -10.91704 1550 291 TIP3 H1 -14.88560 -5.75574 -10.98643 SOLV 338 -10.98643 1551 291 TIP3 H2 -13.96709 -4.63404 -10.84225 SOLV 338 -10.84225 1552 292 TIP3 OH2 -19.40492 4.75910 -16.77297 SOLV 339 -16.77297 1553 292 TIP3 H1 -19.29948 4.29430 -15.90437 SOLV 339 -15.90437 1554 292 TIP3 H2 -18.48461 4.83465 -16.98972 SOLV 339 -16.98972 1555 293 TIP3 OH2 -21.58668 8.01018 -13.00505 SOLV 340 -13.00505 1556 293 TIP3 H1 -20.76176 7.77139 -12.45956 SOLV 340 -12.45956 1557 293 TIP3 H2 -21.79290 8.96213 -12.86654 SOLV 340 -12.86654 1558 294 TIP3 OH2 -20.81695 4.68028 -12.08429 SOLV 341 -12.08429 1559 294 TIP3 H1 -21.36594 5.11975 -12.80236 SOLV 341 -12.80236 1560 294 TIP3 H2 -21.48683 4.62782 -11.38493 SOLV 341 -11.38493 1561 295 TIP3 OH2 -24.67484 7.74450 -16.31632 SOLV 342 -16.31632 1562 295 TIP3 H1 -25.15114 6.88438 -16.56437 SOLV 342 -16.56437 1563 295 TIP3 H2 -24.17328 7.35846 -15.51409 SOLV 342 -15.51409 1564 296 TIP3 OH2 -11.91837 -0.14476 -17.33611 SOLV 343 -17.33611 1565 296 TIP3 H1 -11.52510 -0.92580 -16.86250 SOLV 343 -16.86250 1566 296 TIP3 H2 -12.07899 0.46691 -16.55790 SOLV 343 -16.55790 1567 297 TIP3 OH2 -22.73136 3.95594 -14.27176 SOLV 344 -14.27176 1568 297 TIP3 H1 -22.58552 4.88282 -14.53961 SOLV 344 -14.53961 1569 297 TIP3 H2 -23.00194 3.60167 -15.11082 SOLV 344 -15.11082 1570 298 TIP3 OH2 -23.90048 7.70474 -11.73092 SOLV 345 -11.73092 1571 298 TIP3 H1 -24.14878 6.75226 -11.60966 SOLV 345 -11.60966 1572 298 TIP3 H2 -23.14445 7.63093 -12.38326 SOLV 345 -12.38326 1573 299 TIP3 OH2 -12.62492 4.06492 -11.36705 SOLV 346 -11.36705 1574 299 TIP3 H1 -13.28186 4.82946 -11.30375 SOLV 346 -11.30375 1575 299 TIP3 H2 -11.99170 4.37252 -12.03746 SOLV 346 -12.03746 1576 300 TIP3 OH2 -18.32434 -2.15447 -13.43387 SOLV 347 -13.43387 1577 300 TIP3 H1 -18.98230 -2.84791 -13.19759 SOLV 347 -13.19759 1578 300 TIP3 H2 -17.62778 -2.62105 -13.72146 SOLV 347 -13.72146 1579 301 TIP3 OH2 -9.90923 9.00357 -11.46560 SOLV 348 -11.46560 1580 301 TIP3 H1 -9.12953 8.40885 -11.38445 SOLV 348 -11.38445 1581 301 TIP3 H2 -10.12534 8.97545 -12.35893 SOLV 348 -12.35893 1582 302 TIP3 OH2 -18.03730 0.87343 -14.55871 SOLV 349 -14.55871 1583 302 TIP3 H1 -17.15082 0.37547 -14.63912 SOLV 349 -14.63912 1584 302 TIP3 H2 -18.07158 1.25458 -15.40532 SOLV 349 -15.40532 1585 303 TIP3 OH2 -26.89340 7.11385 -12.72707 SOLV 350 -12.72707 1586 303 TIP3 H1 -26.60610 6.64489 -11.95745 SOLV 350 -11.95745 1587 303 TIP3 H2 -26.58130 6.49299 -13.36970 SOLV 350 -13.36970 1588 304 TIP3 OH2 -26.46851 5.46113 -14.84048 SOLV 351 -14.84048 1589 304 TIP3 H1 -25.75205 4.77379 -14.90968 SOLV 351 -14.90968 1590 304 TIP3 H2 -26.32170 5.96492 -15.72935 SOLV 351 -15.72935 1591 305 TIP3 OH2 -21.11550 6.71323 -9.24526 SOLV 352 -9.24526 1592 305 TIP3 H1 -20.41029 6.62294 -9.90539 SOLV 352 -9.90539 1593 305 TIP3 H2 -20.64485 7.37719 -8.69922 SOLV 352 -8.69922 1594 306 TIP3 OH2 -14.92586 -6.84018 -17.77601 SOLV 353 -17.77601 1595 306 TIP3 H1 -14.52854 -6.35653 -17.03199 SOLV 353 -17.03199 1596 306 TIP3 H2 -14.60804 -6.34806 -18.52736 SOLV 353 -18.52736 1597 307 TIP3 OH2 -25.78820 -0.64345 -11.88420 SOLV 354 -11.88420 1598 307 TIP3 H1 -25.03242 -0.32235 -11.33523 SOLV 354 -11.33523 1599 307 TIP3 H2 -25.55828 -0.31045 -12.80561 SOLV 354 -12.80561 1600 308 TIP3 OH2 -10.25940 2.22393 -12.71179 SOLV 355 -12.71179 1601 308 TIP3 H1 -9.92906 2.32513 -11.83979 SOLV 355 -11.83979 1602 308 TIP3 H2 -11.05468 1.73781 -12.64097 SOLV 355 -12.64097 1603 309 TIP3 OH2 -13.55630 4.05179 -17.15716 SOLV 356 -17.15716 1604 309 TIP3 H1 -13.19703 4.19977 -16.23305 SOLV 356 -16.23305 1605 309 TIP3 H2 -12.85386 4.68892 -17.54786 SOLV 356 -17.54786 1606 310 TIP3 OH2 -17.40668 9.11300 -13.40790 SOLV 357 -13.40790 1607 310 TIP3 H1 -17.06144 8.22976 -13.14077 SOLV 357 -13.14077 1608 310 TIP3 H2 -17.11759 9.18222 -14.36148 SOLV 357 -14.36148 1609 311 TIP3 OH2 -17.07972 -6.13772 -12.97509 SOLV 358 -12.97509 1610 311 TIP3 H1 -16.39323 -6.25228 -13.67826 SOLV 358 -13.67826 1611 311 TIP3 H2 -16.77251 -5.25715 -12.78216 SOLV 358 -12.78216 1612 312 TIP3 OH2 -14.34835 -8.82044 -14.05593 SOLV 359 -14.05593 1613 312 TIP3 H1 -13.41736 -8.74811 -14.34585 SOLV 359 -14.34585 1614 312 TIP3 H2 -14.31930 -9.45579 -13.31663 SOLV 359 -13.31663 1615 313 TIP3 OH2 -27.72129 8.97932 -14.37371 SOLV 360 -14.37371 1616 313 TIP3 H1 -27.25188 8.29226 -13.87169 SOLV 360 -13.87169 1617 313 TIP3 H2 -27.04729 9.22834 -15.04624 SOLV 360 -15.04624 1618 314 TIP3 OH2 -15.48903 8.84039 -10.57424 SOLV 361 -10.57424 1619 314 TIP3 H1 -16.38378 9.18517 -10.31955 SOLV 361 -10.31955 1620 314 TIP3 H2 -14.89754 8.99386 -9.81738 SOLV 361 -9.81738 1621 315 TIP3 OH2 -27.78434 -2.32370 -13.78923 SOLV 362 -13.78923 1622 315 TIP3 H1 -26.95755 -1.89880 -13.57757 SOLV 362 -13.57757 1623 315 TIP3 H2 -27.74009 -2.98879 -13.11926 SOLV 362 -13.11926 1624 316 TIP3 OH2 -20.87416 2.00823 -12.51941 SOLV 363 -12.51941 1625 316 TIP3 H1 -20.81756 2.97151 -12.76967 SOLV 363 -12.76967 1626 316 TIP3 H2 -20.98530 2.15265 -11.55530 SOLV 363 -11.55530 1627 317 TIP3 OH2 -14.83337 -6.18485 -14.62958 SOLV 364 -14.62958 1628 317 TIP3 H1 -14.06130 -5.76469 -14.20476 SOLV 364 -14.20476 1629 317 TIP3 H2 -14.57830 -7.15684 -14.60181 SOLV 364 -14.60181 1630 318 TIP3 OH2 -12.84981 4.55440 -14.58497 SOLV 365 -14.58497 1631 318 TIP3 H1 -12.05179 4.92287 -14.07333 SOLV 365 -14.07333 1632 318 TIP3 H2 -13.57942 4.73971 -13.99590 SOLV 365 -13.99590 1633 319 TIP3 OH2 -24.47419 2.64051 -10.40759 SOLV 366 -10.40759 1634 319 TIP3 H1 -24.12183 1.96005 -11.00564 SOLV 366 -11.00564 1635 319 TIP3 H2 -23.68686 3.17451 -10.13037 SOLV 366 -10.13037 1636 320 TIP3 OH2 -27.23235 1.30471 -10.38502 SOLV 367 -10.38502 1637 320 TIP3 H1 -26.58702 0.82883 -10.95872 SOLV 367 -10.95872 1638 320 TIP3 H2 -26.68068 2.04898 -10.11384 SOLV 367 -10.11384 1639 321 TIP3 OH2 -22.13819 4.17585 -9.67486 SOLV 368 -9.67486 1640 321 TIP3 H1 -22.07198 5.10048 -9.36307 SOLV 368 -9.36307 1641 321 TIP3 H2 -21.49589 3.69801 -9.07870 SOLV 368 -9.07870 1642 322 TIP3 OH2 -15.91249 -0.41635 -10.61108 SOLV 369 -10.61108 1643 322 TIP3 H1 -16.74731 0.04156 -10.88912 SOLV 369 -10.88912 1644 322 TIP3 H2 -16.24396 -1.17595 -10.07476 SOLV 369 -10.07476 1645 323 TIP3 OH2 -25.91259 -8.59979 -16.12948 SOLV 370 -16.12948 1646 323 TIP3 H1 -25.12342 -8.06573 -16.02605 SOLV 370 -16.02605 1647 323 TIP3 H2 -25.46088 -9.47160 -16.36460 SOLV 370 -16.36460 1648 324 TIP3 OH2 -15.48213 4.85332 -13.45303 SOLV 371 -13.45303 1649 324 TIP3 H1 -15.39400 5.52173 -14.20562 SOLV 371 -14.20562 1650 324 TIP3 H2 -16.39756 4.94894 -13.25380 SOLV 371 -13.25380 1651 325 TIP3 OH2 -23.33775 1.15431 -12.64262 SOLV 372 -12.64262 1652 325 TIP3 H1 -22.36424 1.24289 -12.44567 SOLV 372 -12.44567 1653 325 TIP3 H2 -23.44648 1.78369 -13.38264 SOLV 372 -13.38264 1654 326 TIP3 OH2 -16.21733 6.78945 -15.64313 SOLV 373 -15.64313 1655 326 TIP3 H1 -15.95449 7.65392 -15.81842 SOLV 373 -15.81842 1656 326 TIP3 H2 -16.38273 6.32366 -16.45402 SOLV 373 -16.45402 1657 327 TIP3 OH2 -27.37308 -0.03108 -16.82155 SOLV 374 -16.82155 1658 327 TIP3 H1 -26.88069 -0.17760 -15.95240 SOLV 374 -15.95240 1659 327 TIP3 H2 -27.81318 0.80962 -16.68629 SOLV 374 -16.68629 1660 328 TIP3 OH2 -12.77107 -4.73204 -13.36270 SOLV 375 -13.36270 1661 328 TIP3 H1 -12.66963 -3.74354 -13.33245 SOLV 375 -13.33245 1662 328 TIP3 H2 -12.51312 -5.02749 -12.48892 SOLV 375 -12.48892 1663 329 TIP3 OH2 -10.54466 5.36555 -13.46393 SOLV 376 -13.46393 1664 329 TIP3 H1 -9.87544 4.89033 -14.00981 SOLV 376 -14.00981 1665 329 TIP3 H2 -9.97754 6.08160 -13.14335 SOLV 376 -13.14335 1666 330 TIP3 OH2 -19.10973 3.43549 -14.50987 SOLV 377 -14.50987 1667 330 TIP3 H1 -18.55219 3.94617 -13.84803 SOLV 377 -13.84803 1668 330 TIP3 H2 -18.93617 2.49231 -14.26309 SOLV 377 -14.26309 1669 331 TIP3 OH2 -19.57089 -7.34916 -13.50699 SOLV 378 -13.50699 1670 331 TIP3 H1 -18.67372 -7.25139 -13.12341 SOLV 378 -13.12341 1671 331 TIP3 H2 -20.02268 -7.18228 -12.68577 SOLV 378 -12.68577 1672 332 TIP3 OH2 -21.34842 -3.74107 -10.83027 SOLV 379 -10.83027 1673 332 TIP3 H1 -21.34904 -3.47758 -9.86318 SOLV 379 -9.86318 1674 332 TIP3 H2 -20.67841 -4.48186 -10.94939 SOLV 379 -10.94939 1675 333 SOD SOD -19.36339 -0.20692 -13.06406 SOLV 380 -13.06406 1676 334 TIP3 OH2 -21.61393 10.15999 -15.23994 SOLV 381 -15.23994 1677 334 TIP3 H1 -21.27694 9.55735 -15.90963 SOLV 381 -15.90963 1678 334 TIP3 H2 -20.80796 10.39428 -14.75602 SOLV 381 -14.75602 1679 335 TIP3 OH2 -14.13143 16.10148 -9.30558 SOLV 382 -9.30558 1680 335 TIP3 H1 -13.17018 16.23537 -9.07242 SOLV 382 -9.07242 1681 335 TIP3 H2 -14.15987 16.84688 -9.93621 SOLV 382 -9.93621 1682 336 TIP3 OH2 -9.79795 12.00540 -15.29778 SOLV 383 -15.29778 1683 336 TIP3 H1 -9.16124 11.28425 -15.39117 SOLV 383 -15.39117 1684 336 TIP3 H2 -9.27341 12.72024 -15.77809 SOLV 383 -15.77809 1685 337 TIP3 OH2 -11.74693 10.14904 -14.74859 SOLV 384 -14.74859 1686 337 TIP3 H1 -11.35380 11.04983 -14.59998 SOLV 384 -14.59998 1687 337 TIP3 H2 -10.90766 9.51784 -14.64607 SOLV 384 -14.64607 1688 338 TIP3 OH2 -19.19001 13.13548 -10.08173 SOLV 385 -10.08173 1689 338 TIP3 H1 -18.60097 12.76436 -9.43047 SOLV 385 -9.43047 1690 338 TIP3 H2 -18.70576 13.94063 -10.34870 SOLV 385 -10.34870 1691 339 TIP3 OH2 -10.88974 10.39924 -17.70311 SOLV 386 -17.70311 1692 339 TIP3 H1 -11.56753 11.12585 -17.77777 SOLV 386 -17.77777 1693 339 TIP3 H2 -11.21158 9.80557 -17.02413 SOLV 386 -17.02413 1694 340 TIP3 OH2 -20.91120 11.25651 -10.85681 SOLV 387 -10.85681 1695 340 TIP3 H1 -20.38432 10.43268 -10.68459 SOLV 387 -10.68459 1696 340 TIP3 H2 -20.24480 11.92091 -10.48683 SOLV 387 -10.48683 1697 341 TIP3 OH2 -27.53583 16.43234 -10.67570 SOLV 388 -10.67570 1698 341 TIP3 H1 -26.98345 15.63537 -10.56058 SOLV 388 -10.56058 1699 341 TIP3 H2 -27.01422 17.00913 -11.19785 SOLV 388 -11.19785 1700 342 TIP3 OH2 -27.93701 14.78089 -16.74134 SOLV 389 -16.74134 1701 342 TIP3 H1 -27.84942 15.21614 -15.89340 SOLV 389 -15.89340 1702 342 TIP3 H2 -27.06763 14.28875 -16.77196 SOLV 389 -16.77196 1703 343 TIP3 OH2 -16.91312 16.08671 -16.10162 SOLV 390 -16.10162 1704 343 TIP3 H1 -15.99227 15.96546 -15.76880 SOLV 390 -15.76880 1705 343 TIP3 H2 -17.19826 15.21307 -15.84481 SOLV 390 -15.84481 1706 344 TIP3 OH2 -14.23016 15.69251 -15.52060 SOLV 391 -15.52060 1707 344 TIP3 H1 -13.31246 15.81978 -15.08405 SOLV 391 -15.08405 1708 344 TIP3 H2 -14.12328 15.51182 -16.50507 SOLV 391 -16.50507 1709 345 TIP3 OH2 -21.13047 17.34295 -12.02871 SOLV 392 -12.02871 1710 345 TIP3 H1 -21.38003 16.45475 -11.91884 SOLV 392 -11.91884 1711 345 TIP3 H2 -21.69910 17.81502 -11.37656 SOLV 392 -11.37656 1712 346 TIP3 OH2 -18.88108 14.51997 -17.99980 SOLV 393 -17.99980 1713 346 TIP3 H1 -19.05623 13.86447 -18.68433 SOLV 393 -18.68433 1714 346 TIP3 H2 -17.97996 14.71472 -18.03567 SOLV 393 -18.03567 1715 347 TIP3 OH2 -26.10037 13.00077 -16.95840 SOLV 394 -16.95840 1716 347 TIP3 H1 -26.08761 13.08062 -17.92563 SOLV 394 -17.92563 1717 347 TIP3 H2 -25.23518 12.62306 -16.73593 SOLV 394 -16.73593 1718 348 TIP3 OH2 -11.79613 13.40736 -16.79896 SOLV 395 -16.79896 1719 348 TIP3 H1 -11.16015 14.09826 -16.79684 SOLV 395 -16.79684 1720 348 TIP3 H2 -11.70321 12.95991 -15.98339 SOLV 395 -15.98339 1721 349 TIP3 OH2 -15.81383 9.40558 -16.28561 SOLV 396 -16.28561 1722 349 TIP3 H1 -16.05694 10.34873 -16.55631 SOLV 396 -16.55631 1723 349 TIP3 H2 -15.23398 9.65200 -15.52982 SOLV 396 -15.52982 1724 350 TIP3 OH2 -26.88939 13.43461 -10.37649 SOLV 397 -10.37649 1725 350 TIP3 H1 -25.96087 13.62028 -10.51878 SOLV 397 -10.51878 1726 350 TIP3 H2 -27.26200 13.33669 -11.26528 SOLV 397 -11.26528 1727 351 TIP3 OH2 -14.66271 11.22576 -11.34157 SOLV 398 -11.34157 1728 351 TIP3 H1 -15.38287 10.59657 -11.00389 SOLV 398 -11.00389 1729 351 TIP3 H2 -14.70678 11.02850 -12.26810 SOLV 398 -12.26810 1730 352 TIP3 OH2 -19.96892 14.34266 -13.96364 SOLV 399 -13.96364 1731 352 TIP3 H1 -20.83436 14.25338 -14.48111 SOLV 399 -14.48111 1732 352 TIP3 H2 -19.61480 13.40051 -14.06000 SOLV 399 -14.06000 1733 353 TIP3 OH2 -13.24206 16.75361 -12.64154 SOLV 400 -12.64154 1734 353 TIP3 H1 -12.99863 17.56281 -12.14970 SOLV 400 -12.14970 1735 353 TIP3 H2 -14.18281 16.83914 -12.59439 SOLV 400 -12.59439 1736 354 TIP3 OH2 -23.72878 11.64867 -16.66196 SOLV 401 -16.66196 1737 354 TIP3 H1 -22.93926 11.14091 -16.26148 SOLV 401 -16.26148 1738 354 TIP3 H2 -23.20203 12.10940 -17.28800 SOLV 401 -17.28800 1739 355 TIP3 OH2 -24.32038 10.36668 -10.78132 SOLV 402 -10.78132 1740 355 TIP3 H1 -24.35699 10.97408 -11.50800 SOLV 402 -11.50800 1741 355 TIP3 H2 -24.28399 9.55675 -11.27258 SOLV 402 -11.27258 1742 356 TIP3 OH2 -11.50476 16.80766 -14.94162 SOLV 403 -14.94162 1743 356 TIP3 H1 -11.92873 17.32173 -14.23819 SOLV 403 -14.23819 1744 356 TIP3 H2 -10.57455 16.84313 -14.56751 SOLV 403 -14.56751 1745 357 TIP3 OH2 -12.08844 13.85468 -10.70161 SOLV 404 -10.70161 1746 357 TIP3 H1 -11.51357 13.37130 -10.14341 SOLV 404 -10.14341 1747 357 TIP3 H2 -11.95859 14.77636 -10.35301 SOLV 404 -10.35301 1748 358 TIP3 OH2 -23.61144 17.80279 -9.98829 SOLV 405 -9.98829 1749 358 TIP3 H1 -24.27812 18.13399 -9.34492 SOLV 405 -9.34492 1750 358 TIP3 H2 -23.67071 16.88612 -9.88671 SOLV 405 -9.88671 1751 359 TIP3 OH2 -17.27328 15.17223 -10.30282 SOLV 406 -10.30282 1752 359 TIP3 H1 -16.49025 14.58155 -10.21227 SOLV 406 -10.21227 1753 359 TIP3 H2 -17.11125 15.37352 -11.24330 SOLV 406 -11.24330 1754 360 TIP3 OH2 -9.40107 13.46030 -12.85558 SOLV 407 -12.85558 1755 360 TIP3 H1 -9.14763 12.78092 -13.45327 SOLV 407 -13.45327 1756 360 TIP3 H2 -10.36523 13.65623 -13.19972 SOLV 407 -13.19972 1757 361 TIP3 OH2 -24.21800 14.42479 -10.82674 SOLV 408 -10.82674 1758 361 TIP3 H1 -23.27685 14.09305 -10.88019 SOLV 408 -10.88019 1759 361 TIP3 H2 -24.16738 14.92857 -11.65883 SOLV 408 -11.65883 1760 362 TIP3 OH2 -13.07525 10.97515 -9.10489 SOLV 409 -9.10489 1761 362 TIP3 H1 -13.43227 11.00635 -10.01824 SOLV 409 -10.01824 1762 362 TIP3 H2 -12.58885 10.13483 -9.10337 SOLV 409 -9.10337 1763 363 TIP3 OH2 -15.82834 15.29501 -13.13409 SOLV 410 -13.13409 1764 363 TIP3 H1 -15.25273 14.92074 -12.43055 SOLV 410 -12.43055 1765 363 TIP3 H2 -15.18565 15.50837 -13.84507 SOLV 410 -13.84507 1766 364 TIP3 OH2 -11.35289 16.41612 -9.62993 SOLV 411 -9.62993 1767 364 TIP3 H1 -10.93343 16.94986 -9.01379 SOLV 411 -9.01379 1768 364 TIP3 H2 -10.54929 16.32019 -10.18200 SOLV 411 -10.18200 1769 365 TIP3 OH2 -19.66312 16.73491 -16.46222 SOLV 412 -16.46222 1770 365 TIP3 H1 -18.73728 16.79959 -16.17111 SOLV 412 -16.17111 1771 365 TIP3 H2 -19.66543 16.05202 -17.16902 SOLV 412 -17.16902 1772 366 TIP3 OH2 -14.95395 13.87079 -10.91704 SOLV 413 -10.91704 1773 366 TIP3 H1 -14.88560 12.89773 -10.98643 SOLV 413 -10.98643 1774 366 TIP3 H2 -13.96709 14.01943 -10.84225 SOLV 413 -10.84225 1775 367 TIP3 OH2 -18.32434 16.49900 -13.43387 SOLV 414 -13.43387 1776 367 TIP3 H1 -18.98230 15.80556 -13.19759 SOLV 414 -13.19759 1777 367 TIP3 H2 -17.62778 16.03242 -13.72146 SOLV 414 -13.72146 1778 368 TIP3 OH2 -14.92586 11.81329 -17.77601 SOLV 415 -17.77601 1779 368 TIP3 H1 -14.52854 12.29694 -17.03199 SOLV 415 -17.03199 1780 368 TIP3 H2 -14.60804 12.30541 -18.52736 SOLV 415 -18.52736 1781 369 TIP3 OH2 -17.07972 12.51575 -12.97509 SOLV 416 -12.97509 1782 369 TIP3 H1 -16.39323 12.40119 -13.67826 SOLV 416 -13.67826 1783 369 TIP3 H2 -16.77251 13.39632 -12.78216 SOLV 416 -12.78216 1784 370 TIP3 OH2 -14.34835 9.83303 -14.05593 SOLV 417 -14.05593 1785 370 TIP3 H1 -13.41736 9.90536 -14.34585 SOLV 417 -14.34585 1786 370 TIP3 H2 -14.31930 9.19768 -13.31663 SOLV 417 -13.31663 1787 371 TIP3 OH2 -27.78434 16.32977 -13.78923 SOLV 418 -13.78923 1788 371 TIP3 H1 -26.95755 16.75467 -13.57757 SOLV 418 -13.57757 1789 371 TIP3 H2 -27.74009 15.66468 -13.11926 SOLV 418 -13.11926 1790 372 TIP3 OH2 -14.83337 12.46862 -14.62958 SOLV 419 -14.62958 1791 372 TIP3 H1 -14.06130 12.88878 -14.20476 SOLV 419 -14.20476 1792 372 TIP3 H2 -14.57830 11.49663 -14.60181 SOLV 419 -14.60181 1793 373 TIP3 OH2 -25.91259 10.05368 -16.12948 SOLV 420 -16.12948 1794 373 TIP3 H1 -25.12342 10.58774 -16.02605 SOLV 420 -16.02605 1795 373 TIP3 H2 -25.46088 9.18187 -16.36460 SOLV 420 -16.36460 1796 374 TIP3 OH2 -12.77107 13.92143 -13.36270 SOLV 421 -13.36270 1797 374 TIP3 H1 -12.66963 14.90993 -13.33245 SOLV 421 -13.33245 1798 374 TIP3 H2 -12.51312 13.62598 -12.48892 SOLV 421 -12.48892 1799 375 TIP3 OH2 -19.57089 11.30431 -13.50699 SOLV 422 -13.50699 1800 375 TIP3 H1 -18.67372 11.40208 -13.12341 SOLV 422 -13.12341 1801 375 TIP3 H2 -20.02268 11.47119 -12.68577 SOLV 422 -12.68577 1802 376 TIP3 OH2 -21.34842 14.91240 -10.83027 SOLV 423 -10.83027 1803 376 TIP3 H1 -21.34904 15.17589 -9.86318 SOLV 423 -9.86318 1804 376 TIP3 H2 -20.67841 14.17161 -10.94939 SOLV 423 -10.94939 1805 377 TIP3 OH2 6.97382 -10.14744 -9.61939 SOLV 424 -9.61939 1806 377 TIP3 H1 7.49549 -9.91267 -10.38258 SOLV 424 -10.38258 1807 377 TIP3 H2 7.65487 -10.78751 -9.23071 SOLV 424 -9.23071 1808 378 TIP3 OH2 -2.34652 -11.76858 -17.65611 SOLV 425 -17.65611 1809 378 TIP3 H1 -1.64816 -11.01166 -17.58476 SOLV 425 -17.58476 1810 378 TIP3 H2 -1.84452 -12.49531 -17.26129 SOLV 425 -17.26129 1811 379 TIP3 OH2 -5.93160 -13.58961 -12.26306 SOLV 426 -12.26306 1812 379 TIP3 H1 -5.56818 -14.25922 -12.81313 SOLV 426 -12.81313 1813 379 TIP3 H2 -6.47008 -14.05805 -11.61313 SOLV 426 -11.61313 1814 380 TIP3 OH2 9.55870 -13.05593 -10.66980 SOLV 427 -10.66980 1815 380 TIP3 H1 9.49216 -12.54032 -9.83043 SOLV 427 -9.83043 1816 380 TIP3 H2 9.01974 -13.79255 -10.47024 SOLV 427 -10.47024 1817 381 TIP3 OH2 4.76336 -17.81468 -9.13705 SOLV 428 -9.13705 1818 381 TIP3 H1 5.25671 -17.62749 -10.05264 SOLV 428 -10.05264 1819 381 TIP3 H2 3.88776 -18.18392 -9.48511 SOLV 428 -9.48511 1820 382 TIP3 OH2 -9.05783 -16.33147 -15.30538 SOLV 429 -15.30538 1821 382 TIP3 H1 -9.43370 -16.43312 -14.42515 SOLV 429 -14.42515 1822 382 TIP3 H2 -8.71276 -15.40996 -15.34928 SOLV 429 -15.34928 1823 383 TIP3 OH2 4.63101 -12.44371 -10.73845 SOLV 430 -10.73845 1824 383 TIP3 H1 4.01762 -11.81650 -11.12390 SOLV 430 -11.12390 1825 383 TIP3 H2 4.61472 -12.03819 -9.83682 SOLV 430 -9.83682 1826 384 TIP3 OH2 -2.91668 -16.30365 -16.13027 SOLV 431 -16.13027 1827 384 TIP3 H1 -2.77147 -16.67193 -15.24959 SOLV 431 -15.24959 1828 384 TIP3 H2 -2.30009 -15.60797 -16.06976 SOLV 431 -16.06976 1829 385 TIP3 OH2 0.59943 -13.91271 -12.32897 SOLV 432 -12.32897 1830 385 TIP3 H1 -0.41032 -13.79861 -12.31195 SOLV 432 -12.31195 1831 385 TIP3 H2 0.95496 -14.22978 -11.47518 SOLV 432 -11.47518 1832 386 TIP3 OH2 2.29062 -14.26915 -17.21140 SOLV 433 -17.21140 1833 386 TIP3 H1 3.23449 -14.34778 -17.28871 SOLV 433 -17.28871 1834 386 TIP3 H2 2.18487 -15.22610 -17.15087 SOLV 433 -17.15087 1835 387 TIP3 OH2 -0.42878 -10.37313 -11.33055 SOLV 434 -11.33055 1836 387 TIP3 H1 -0.23370 -10.06400 -10.45874 SOLV 434 -10.45874 1837 387 TIP3 H2 0.04655 -9.77252 -11.90714 SOLV 434 -11.90714 1838 388 TIP3 OH2 -6.26155 -15.11783 -16.10841 SOLV 435 -16.10841 1839 388 TIP3 H1 -6.47940 -14.61153 -16.89450 SOLV 435 -16.89450 1840 388 TIP3 H2 -5.90588 -15.89948 -16.46421 SOLV 435 -16.46421 1841 389 TIP3 OH2 2.82061 -16.36380 -12.50033 SOLV 436 -12.50033 1842 389 TIP3 H1 2.70340 -17.02542 -13.14421 SOLV 436 -13.14421 1843 389 TIP3 H2 2.98057 -15.57946 -12.96487 SOLV 436 -12.96487 1844 390 TIP3 OH2 -7.29474 -12.90605 -17.81945 SOLV 437 -17.81945 1845 390 TIP3 H1 -7.57488 -13.53068 -18.58443 SOLV 437 -18.58443 1846 390 TIP3 H2 -7.99624 -12.26578 -17.93254 SOLV 437 -17.93254 1847 391 TIP3 OH2 6.46823 -17.04120 -15.27760 SOLV 438 -15.27760 1848 391 TIP3 H1 6.35265 -16.10047 -15.36360 SOLV 438 -15.36360 1849 391 TIP3 H2 7.47167 -17.09513 -15.23338 SOLV 438 -15.23338 1850 392 TIP3 OH2 5.68540 -17.35369 -11.89853 SOLV 439 -11.89853 1851 392 TIP3 H1 4.74392 -17.37965 -11.96053 SOLV 439 -11.96053 1852 392 TIP3 H2 5.82156 -16.34927 -11.83046 SOLV 439 -11.83046 1853 393 TIP3 OH2 2.57790 -14.50026 -10.31084 SOLV 440 -10.31084 1854 393 TIP3 H1 3.37004 -14.07014 -10.47616 SOLV 440 -10.47616 1855 393 TIP3 H2 2.83153 -15.33421 -10.81122 SOLV 440 -10.81122 1856 394 TIP3 OH2 1.29289 -17.00447 -17.56787 SOLV 441 -17.56787 1857 394 TIP3 H1 0.81149 -16.62822 -18.30975 SOLV 441 -18.30975 1858 394 TIP3 H2 1.50626 -17.88788 -17.88035 SOLV 441 -17.88035 1859 395 TIP3 OH2 -3.92412 -12.12722 -14.98946 SOLV 442 -14.98946 1860 395 TIP3 H1 -3.56006 -11.53697 -14.28999 SOLV 442 -14.28999 1861 395 TIP3 H2 -3.39559 -11.92328 -15.83068 SOLV 442 -15.83068 1862 396 TIP3 OH2 -0.75145 -13.89437 -16.77297 SOLV 443 -16.77297 1863 396 TIP3 H1 -0.64601 -14.35917 -15.90437 SOLV 443 -15.90437 1864 396 TIP3 H2 0.16886 -13.81882 -16.98972 SOLV 443 -16.98972 1865 397 TIP3 OH2 -2.93321 -10.64329 -13.00505 SOLV 444 -13.00505 1866 397 TIP3 H1 -2.10829 -10.88208 -12.45956 SOLV 444 -12.45956 1867 397 TIP3 H2 -3.13943 -9.69134 -12.86654 SOLV 444 -12.86654 1868 398 TIP3 OH2 -2.16348 -13.97319 -12.08429 SOLV 445 -12.08429 1869 398 TIP3 H1 -2.71247 -13.53372 -12.80236 SOLV 445 -12.80236 1870 398 TIP3 H2 -2.83336 -14.02565 -11.38493 SOLV 445 -11.38493 1871 399 TIP3 OH2 -6.02137 -10.90897 -16.31632 SOLV 446 -16.31632 1872 399 TIP3 H1 -6.49767 -11.76909 -16.56437 SOLV 446 -16.56437 1873 399 TIP3 H2 -5.51981 -11.29501 -15.51409 SOLV 446 -15.51409 1874 400 TIP3 OH2 -4.07789 -14.69753 -14.27176 SOLV 447 -14.27176 1875 400 TIP3 H1 -3.93205 -13.77065 -14.53961 SOLV 447 -14.53961 1876 400 TIP3 H2 -4.34847 -15.05180 -15.11082 SOLV 447 -15.11082 1877 401 TIP3 OH2 -5.24701 -10.94873 -11.73092 SOLV 448 -11.73092 1878 401 TIP3 H1 -5.49531 -11.90121 -11.60966 SOLV 448 -11.60966 1879 401 TIP3 H2 -4.49098 -11.02254 -12.38326 SOLV 448 -12.38326 1880 402 TIP3 OH2 6.02855 -14.58855 -11.36705 SOLV 449 -11.36705 1881 402 TIP3 H1 5.37161 -13.82401 -11.30375 SOLV 449 -11.30375 1882 402 TIP3 H2 6.66177 -14.28095 -12.03746 SOLV 449 -12.03746 1883 403 TIP3 OH2 8.74424 -9.64990 -11.46560 SOLV 450 -11.46560 1884 403 TIP3 H1 9.52394 -10.24462 -11.38445 SOLV 450 -11.38445 1885 403 TIP3 H2 8.52813 -9.67802 -12.35893 SOLV 450 -12.35893 1886 404 TIP3 OH2 0.61617 -17.78004 -14.55871 SOLV 451 -14.55871 1887 404 TIP3 H1 1.50265 -18.27800 -14.63912 SOLV 451 -14.63912 1888 404 TIP3 H2 0.58189 -17.39889 -15.40532 SOLV 451 -15.40532 1889 405 TIP3 OH2 -8.23993 -11.53962 -12.72707 SOLV 452 -12.72707 1890 405 TIP3 H1 -7.95263 -12.00858 -11.95745 SOLV 452 -11.95745 1891 405 TIP3 H2 -7.92783 -12.16048 -13.36970 SOLV 452 -13.36970 1892 406 TIP3 OH2 -7.81504 -13.19234 -14.84048 SOLV 453 -14.84048 1893 406 TIP3 H1 -7.09858 -13.87968 -14.90968 SOLV 453 -14.90968 1894 406 TIP3 H2 -7.66823 -12.68855 -15.72935 SOLV 453 -15.72935 1895 407 TIP3 OH2 -2.46203 -11.94024 -9.24526 SOLV 454 -9.24526 1896 407 TIP3 H1 -1.75682 -12.03053 -9.90539 SOLV 454 -9.90539 1897 407 TIP3 H2 -1.99138 -11.27628 -8.69922 SOLV 454 -8.69922 1898 408 TIP3 OH2 8.39407 -16.42954 -12.71179 SOLV 455 -12.71179 1899 408 TIP3 H1 8.72441 -16.32834 -11.83979 SOLV 455 -11.83979 1900 408 TIP3 H2 7.59879 -16.91566 -12.64097 SOLV 455 -12.64097 1901 409 TIP3 OH2 5.09717 -14.60168 -17.15716 SOLV 456 -17.15716 1902 409 TIP3 H1 5.45644 -14.45370 -16.23305 SOLV 456 -16.23305 1903 409 TIP3 H2 5.79961 -13.96455 -17.54786 SOLV 456 -17.54786 1904 410 TIP3 OH2 1.24679 -9.54047 -13.40790 SOLV 457 -13.40790 1905 410 TIP3 H1 1.59203 -10.42371 -13.14077 SOLV 457 -13.14077 1906 410 TIP3 H2 1.53588 -9.47125 -14.36148 SOLV 457 -14.36148 1907 411 TIP3 OH2 -9.06782 -9.67415 -14.37371 SOLV 458 -14.37371 1908 411 TIP3 H1 -8.59841 -10.36121 -13.87169 SOLV 458 -13.87169 1909 411 TIP3 H2 -8.39382 -9.42513 -15.04624 SOLV 458 -15.04624 1910 412 TIP3 OH2 3.16444 -9.81308 -10.57424 SOLV 459 -10.57424 1911 412 TIP3 H1 2.26969 -9.46830 -10.31955 SOLV 459 -10.31955 1912 412 TIP3 H2 3.75593 -9.65961 -9.81738 SOLV 459 -9.81738 1913 413 TIP3 OH2 -2.22069 -16.64524 -12.51941 SOLV 460 -12.51941 1914 413 TIP3 H1 -2.16409 -15.68196 -12.76967 SOLV 460 -12.76967 1915 413 TIP3 H2 -2.33183 -16.50082 -11.55530 SOLV 460 -11.55530 1916 414 TIP3 OH2 5.80366 -14.09907 -14.58497 SOLV 461 -14.58497 1917 414 TIP3 H1 6.60168 -13.73060 -14.07333 SOLV 461 -14.07333 1918 414 TIP3 H2 5.07405 -13.91376 -13.99590 SOLV 461 -13.99590 1919 415 TIP3 OH2 -5.82072 -16.01296 -10.40759 SOLV 462 -10.40759 1920 415 TIP3 H1 -5.46836 -16.69342 -11.00564 SOLV 462 -11.00564 1921 415 TIP3 H2 -5.03339 -15.47896 -10.13037 SOLV 462 -10.13037 1922 416 TIP3 OH2 -8.57888 -17.34876 -10.38502 SOLV 463 -10.38502 1923 416 TIP3 H1 -7.93355 -17.82464 -10.95872 SOLV 463 -10.95872 1924 416 TIP3 H2 -8.02721 -16.60449 -10.11384 SOLV 463 -10.11384 1925 417 TIP3 OH2 -3.48472 -14.47762 -9.67486 SOLV 464 -9.67486 1926 417 TIP3 H1 -3.41851 -13.55299 -9.36307 SOLV 464 -9.36307 1927 417 TIP3 H2 -2.84242 -14.95546 -9.07870 SOLV 464 -9.07870 1928 418 TIP3 OH2 3.17134 -13.80015 -13.45303 SOLV 465 -13.45303 1929 418 TIP3 H1 3.25947 -13.13174 -14.20562 SOLV 465 -14.20562 1930 418 TIP3 H2 2.25591 -13.70453 -13.25380 SOLV 465 -13.25380 1931 419 TIP3 OH2 -4.68428 -17.49916 -12.64262 SOLV 466 -12.64262 1932 419 TIP3 H1 -3.71077 -17.41058 -12.44567 SOLV 466 -12.44567 1933 419 TIP3 H2 -4.79301 -16.86978 -13.38264 SOLV 466 -13.38264 1934 420 TIP3 OH2 2.43614 -11.86402 -15.64313 SOLV 467 -15.64313 1935 420 TIP3 H1 2.69898 -10.99955 -15.81842 SOLV 467 -15.81842 1936 420 TIP3 H2 2.27074 -12.32981 -16.45402 SOLV 467 -16.45402 1937 421 TIP3 OH2 8.10881 -13.28792 -13.46393 SOLV 468 -13.46393 1938 421 TIP3 H1 8.77803 -13.76314 -14.00981 SOLV 468 -14.00981 1939 421 TIP3 H2 8.67593 -12.57187 -13.14335 SOLV 468 -13.14335 1940 422 TIP3 OH2 -0.45626 -15.21798 -14.50987 SOLV 469 -14.50987 1941 422 TIP3 H1 0.10128 -14.70730 -13.84803 SOLV 469 -13.84803 1942 422 TIP3 H2 -0.28270 -16.16116 -14.26309 SOLV 469 -14.26309 1943 423 TIP3 OH2 -2.96046 -8.49348 -15.23994 SOLV 470 -15.23994 1944 423 TIP3 H1 -2.62347 -9.09612 -15.90963 SOLV 470 -15.90963 1945 423 TIP3 H2 -2.15449 -8.25919 -14.75602 SOLV 470 -14.75602 1946 424 TIP3 OH2 4.52204 -2.55199 -9.30558 SOLV 471 -9.30558 1947 424 TIP3 H1 5.48329 -2.41810 -9.07242 SOLV 471 -9.07242 1948 424 TIP3 H2 4.49360 -1.80659 -9.93621 SOLV 471 -9.93621 1949 425 TIP3 OH2 6.97382 8.50603 -9.61939 SOLV 472 -9.61939 1950 425 TIP3 H1 7.49549 8.74080 -10.38258 SOLV 472 -10.38258 1951 425 TIP3 H2 7.65487 7.86596 -9.23071 SOLV 472 -9.23071 1952 426 TIP3 OH2 8.85552 -6.64807 -15.29778 SOLV 473 -15.29778 1953 426 TIP3 H1 9.49223 -7.36922 -15.39117 SOLV 473 -15.39117 1954 426 TIP3 H2 9.38006 -5.93323 -15.77809 SOLV 473 -15.77809 1955 427 TIP3 OH2 6.90654 -8.50443 -14.74859 SOLV 474 -14.74859 1956 427 TIP3 H1 7.29967 -7.60364 -14.59998 SOLV 474 -14.59998 1957 427 TIP3 H2 7.74581 -9.13563 -14.64607 SOLV 474 -14.64607 1958 428 TIP3 OH2 -0.53654 -5.51799 -10.08173 SOLV 475 -10.08173 1959 428 TIP3 H1 0.05250 -5.88911 -9.43047 SOLV 475 -9.43047 1960 428 TIP3 H2 -0.05229 -4.71284 -10.34870 SOLV 475 -10.34870 1961 429 TIP3 OH2 -2.49679 0.21020 -17.78764 SOLV 476 -17.78764 1962 429 TIP3 H1 -2.87043 1.01096 -17.38183 SOLV 476 -17.38183 1963 429 TIP3 H2 -1.66589 0.14571 -17.34537 SOLV 476 -17.34537 1964 430 TIP3 OH2 -5.33895 0.13724 -16.96603 SOLV 477 -16.96603 1965 430 TIP3 H1 -5.33287 0.90316 -17.56966 SOLV 477 -17.56966 1966 430 TIP3 H2 -4.45702 -0.17494 -16.97641 SOLV 477 -16.97641 1967 431 TIP3 OH2 7.76373 -8.25423 -17.70311 SOLV 478 -17.70311 1968 431 TIP3 H1 7.08594 -7.52762 -17.77777 SOLV 478 -17.77777 1969 431 TIP3 H2 7.44189 -8.84790 -17.02413 SOLV 478 -17.02413 1970 432 TIP3 OH2 -2.25773 -7.39696 -10.85681 SOLV 479 -10.85681 1971 432 TIP3 H1 -1.73085 -8.22079 -10.68459 SOLV 479 -10.68459 1972 432 TIP3 H2 -1.59133 -6.73256 -10.48683 SOLV 479 -10.48683 1973 433 TIP3 OH2 -8.88236 -2.22113 -10.67570 SOLV 480 -10.67570 1974 433 TIP3 H1 -8.32998 -3.01810 -10.56058 SOLV 480 -10.56058 1975 433 TIP3 H2 -8.36075 -1.64434 -11.19785 SOLV 480 -11.19785 1976 434 TIP3 OH2 -2.34652 6.88489 -17.65611 SOLV 481 -17.65611 1977 434 TIP3 H1 -1.64816 7.64181 -17.58476 SOLV 481 -17.58476 1978 434 TIP3 H2 -1.84452 6.15816 -17.26129 SOLV 481 -17.26129 1979 435 TIP3 OH2 0.12283 0.32007 -11.09250 SOLV 482 -11.09250 1980 435 TIP3 H1 -0.15161 1.13355 -10.73191 SOLV 482 -10.73191 1981 435 TIP3 H2 -0.21030 -0.33255 -10.42946 SOLV 482 -10.42946 1982 436 TIP3 OH2 -9.28354 -3.87258 -16.74134 SOLV 483 -16.74134 1983 436 TIP3 H1 -9.19595 -3.43733 -15.89340 SOLV 483 -15.89340 1984 436 TIP3 H2 -8.41416 -4.36472 -16.77196 SOLV 483 -16.77196 1985 437 TIP3 OH2 1.74035 -2.56676 -16.10162 SOLV 484 -16.10162 1986 437 TIP3 H1 2.66120 -2.68801 -15.76880 SOLV 484 -15.76880 1987 437 TIP3 H2 1.45521 -3.44040 -15.84481 SOLV 484 -15.84481 1988 438 TIP3 OH2 4.42331 -2.96096 -15.52060 SOLV 485 -15.52060 1989 438 TIP3 H1 5.34101 -2.83369 -15.08405 SOLV 485 -15.08405 1990 438 TIP3 H2 4.53019 -3.14165 -16.50507 SOLV 485 -16.50507 1991 439 TIP3 OH2 -5.93160 5.06386 -12.26306 SOLV 486 -12.26306 1992 439 TIP3 H1 -5.56818 4.39425 -12.81313 SOLV 486 -12.81313 1993 439 TIP3 H2 -6.47008 4.59542 -11.61313 SOLV 486 -11.61313 1994 440 TIP3 OH2 -2.47700 -1.31052 -12.02871 SOLV 487 -12.02871 1995 440 TIP3 H1 -2.72656 -2.19872 -11.91884 SOLV 487 -11.91884 1996 440 TIP3 H2 -3.04563 -0.83845 -11.37656 SOLV 487 -11.37656 1997 441 TIP3 OH2 -0.22761 -4.13350 -17.99980 SOLV 488 -17.99980 1998 441 TIP3 H1 -0.40276 -4.78900 -18.68433 SOLV 488 -18.68433 1999 441 TIP3 H2 0.67351 -3.93875 -18.03567 SOLV 488 -18.03567 2000 442 TIP3 OH2 9.55870 5.59754 -10.66980 SOLV 489 -10.66980 2001 442 TIP3 H1 9.49216 6.11315 -9.83043 SOLV 489 -9.83043 2002 442 TIP3 H2 9.01974 4.86092 -10.47024 SOLV 489 -10.47024 2003 443 TIP3 OH2 -7.44690 -5.65270 -16.95840 SOLV 490 -16.95840 2004 443 TIP3 H1 -7.43414 -5.57285 -17.92563 SOLV 490 -17.92563 2005 443 TIP3 H2 -6.58171 -6.03041 -16.73593 SOLV 490 -16.73593 2006 444 TIP3 OH2 6.85734 -5.24611 -16.79896 SOLV 491 -16.79896 2007 444 TIP3 H1 7.49332 -4.55521 -16.79684 SOLV 491 -16.79684 2008 444 TIP3 H2 6.95026 -5.69356 -15.98339 SOLV 491 -15.98339 2009 445 TIP3 OH2 2.83964 -9.24789 -16.28561 SOLV 492 -16.28561 2010 445 TIP3 H1 2.59653 -8.30474 -16.55631 SOLV 492 -16.55631 2011 445 TIP3 H2 3.41949 -9.00147 -15.52982 SOLV 492 -15.52982 2012 446 TIP3 OH2 -8.23592 -5.21886 -10.37649 SOLV 493 -10.37649 2013 446 TIP3 H1 -7.30740 -5.03319 -10.51878 SOLV 493 -10.51878 2014 446 TIP3 H2 -8.60853 -5.31678 -11.26528 SOLV 493 -11.26528 2015 447 TIP3 OH2 3.99076 -7.42771 -11.34157 SOLV 494 -11.34157 2016 447 TIP3 H1 3.27060 -8.05690 -11.00389 SOLV 494 -11.00389 2017 447 TIP3 H2 3.94669 -7.62497 -12.26810 SOLV 494 -12.26810 2018 448 TIP3 OH2 -1.31545 -4.31081 -13.96364 SOLV 495 -13.96364 2019 448 TIP3 H1 -2.18089 -4.40009 -14.48111 SOLV 495 -14.48111 2020 448 TIP3 H2 -0.96133 -5.25296 -14.06000 SOLV 495 -14.06000 2021 449 TIP3 OH2 4.76336 0.83879 -9.13705 SOLV 496 -9.13705 2022 449 TIP3 H1 5.25671 1.02598 -10.05264 SOLV 496 -10.05264 2023 449 TIP3 H2 3.88776 0.46955 -9.48511 SOLV 496 -9.48511 2024 450 TIP3 OH2 -9.05783 2.32200 -15.30538 SOLV 497 -15.30538 2025 450 TIP3 H1 -9.43370 2.22035 -14.42515 SOLV 497 -14.42515 2026 450 TIP3 H2 -8.71276 3.24351 -15.34928 SOLV 497 -15.34928 2027 451 TIP3 OH2 5.41141 -1.89986 -12.64154 SOLV 498 -12.64154 2028 451 TIP3 H1 5.65484 -1.09066 -12.14970 SOLV 498 -12.14970 2029 451 TIP3 H2 4.47066 -1.81433 -12.59439 SOLV 498 -12.59439 2030 452 TIP3 OH2 -5.07531 -7.00480 -16.66196 SOLV 499 -16.66196 2031 452 TIP3 H1 -4.28579 -7.51256 -16.26148 SOLV 499 -16.26148 2032 452 TIP3 H2 -4.54856 -6.54407 -17.28800 SOLV 499 -17.28800 2033 453 TIP3 OH2 4.63101 6.20976 -10.73845 SOLV 500 -10.73845 2034 453 TIP3 H1 4.01762 6.83697 -11.12390 SOLV 500 -11.12390 2035 453 TIP3 H2 4.61472 6.61528 -9.83682 SOLV 500 -9.83682 2036 454 TIP3 OH2 -5.66691 -8.28679 -10.78132 SOLV 501 -10.78132 2037 454 TIP3 H1 -5.70352 -7.67939 -11.50800 SOLV 501 -11.50800 2038 454 TIP3 H2 -5.63052 -9.09672 -11.27258 SOLV 501 -11.27258 2039 455 TIP3 OH2 7.14871 -1.84581 -14.94162 SOLV 502 -14.94162 2040 455 TIP3 H1 6.72474 -1.33174 -14.23819 SOLV 502 -14.23819 2041 455 TIP3 H2 8.07892 -1.81034 -14.56751 SOLV 502 -14.56751 2042 456 TIP3 OH2 6.56503 -4.79879 -10.70161 SOLV 503 -10.70161 2043 456 TIP3 H1 7.13990 -5.28217 -10.14341 SOLV 503 -10.14341 2044 456 TIP3 H2 6.69488 -3.87711 -10.35301 SOLV 503 -10.35301 2045 457 TIP3 OH2 -4.95797 -0.85068 -9.98829 SOLV 504 -9.98829 2046 457 TIP3 H1 -5.62465 -0.51948 -9.34492 SOLV 504 -9.34492 2047 457 TIP3 H2 -5.01724 -1.76735 -9.88671 SOLV 504 -9.88671 2048 458 TIP3 OH2 -2.91668 2.34982 -16.13027 SOLV 505 -16.13027 2049 458 TIP3 H1 -2.77147 1.98154 -15.24959 SOLV 505 -15.24959 2050 458 TIP3 H2 -2.30009 3.04550 -16.06976 SOLV 505 -16.06976 2051 459 TIP3 OH2 0.59943 4.74076 -12.32897 SOLV 506 -12.32897 2052 459 TIP3 H1 -0.41032 4.85486 -12.31195 SOLV 506 -12.31195 2053 459 TIP3 H2 0.95496 4.42369 -11.47518 SOLV 506 -11.47518 2054 460 TIP3 OH2 2.29062 4.38432 -17.21140 SOLV 507 -17.21140 2055 460 TIP3 H1 3.23449 4.30569 -17.28871 SOLV 507 -17.28871 2056 460 TIP3 H2 2.18487 3.42737 -17.15087 SOLV 507 -17.15087 2057 461 TIP3 OH2 1.38019 -3.48124 -10.30282 SOLV 508 -10.30282 2058 461 TIP3 H1 2.16322 -4.07192 -10.21227 SOLV 508 -10.21227 2059 461 TIP3 H2 1.54222 -3.27995 -11.24330 SOLV 508 -11.24330 2060 462 TIP3 OH2 9.25240 -5.19317 -12.85558 SOLV 509 -12.85558 2061 462 TIP3 H1 9.50584 -5.87255 -13.45327 SOLV 509 -13.45327 2062 462 TIP3 H2 8.28824 -4.99724 -13.19972 SOLV 509 -13.19972 2063 463 TIP3 OH2 -0.42878 8.28034 -11.33055 SOLV 510 -11.33055 2064 463 TIP3 H1 -0.23370 8.58947 -10.45874 SOLV 510 -10.45874 2065 463 TIP3 H2 0.04655 8.88095 -11.90714 SOLV 510 -11.90714 2066 464 TIP3 OH2 -6.26155 3.53564 -16.10841 SOLV 511 -16.10841 2067 464 TIP3 H1 -6.47940 4.04194 -16.89450 SOLV 511 -16.89450 2068 464 TIP3 H2 -5.90588 2.75399 -16.46421 SOLV 511 -16.46421 2069 465 TIP3 OH2 2.82061 2.28967 -12.50033 SOLV 512 -12.50033 2070 465 TIP3 H1 2.70340 1.62805 -13.14421 SOLV 512 -13.14421 2071 465 TIP3 H2 2.98057 3.07401 -12.96487 SOLV 512 -12.96487 2072 466 TIP3 OH2 -7.29474 5.74742 -17.81945 SOLV 513 -17.81945 2073 466 TIP3 H1 -7.57488 5.12279 -18.58443 SOLV 513 -18.58443 2074 466 TIP3 H2 -7.99624 6.38769 -17.93254 SOLV 513 -17.93254 2075 467 TIP3 OH2 -2.40236 -0.28694 -14.77620 SOLV 514 -14.77620 2076 467 TIP3 H1 -1.86980 -0.98513 -15.33784 SOLV 514 -15.33784 2077 467 TIP3 H2 -3.19671 -0.75427 -14.61998 SOLV 514 -14.61998 2078 468 TIP3 OH2 6.46823 1.61227 -15.27760 SOLV 515 -15.27760 2079 468 TIP3 H1 6.35265 2.55300 -15.36360 SOLV 515 -15.36360 2080 468 TIP3 H2 7.47167 1.55834 -15.23338 SOLV 515 -15.23338 2081 469 TIP3 OH2 5.68540 1.29978 -11.89853 SOLV 516 -11.89853 2082 469 TIP3 H1 4.74392 1.27382 -11.96053 SOLV 516 -11.96053 2083 469 TIP3 H2 5.82156 2.30420 -11.83046 SOLV 516 -11.83046 2084 470 TIP3 OH2 -5.56453 -4.22868 -10.82674 SOLV 517 -10.82674 2085 470 TIP3 H1 -4.62338 -4.56042 -10.88019 SOLV 517 -10.88019 2086 470 TIP3 H2 -5.51391 -3.72490 -11.65883 SOLV 517 -11.65883 2087 471 TIP3 OH2 -6.89201 0.23042 -14.45156 SOLV 518 -14.45156 2088 471 TIP3 H1 -6.25252 -0.10180 -15.10281 SOLV 518 -15.10281 2089 471 TIP3 H2 -6.92002 1.21151 -14.45682 SOLV 518 -14.45682 2090 472 TIP3 OH2 5.57822 -7.67832 -9.10489 SOLV 519 -9.10489 2091 472 TIP3 H1 5.22120 -7.64712 -10.01824 SOLV 519 -10.01824 2092 472 TIP3 H2 6.06462 -8.51864 -9.10337 SOLV 519 -9.10337 2093 473 TIP3 OH2 2.82513 -3.35846 -13.13409 SOLV 520 -13.13409 2094 473 TIP3 H1 3.40074 -3.73273 -12.43055 SOLV 520 -12.43055 2095 473 TIP3 H2 3.46782 -3.14510 -13.84507 SOLV 520 -13.84507 2096 474 TIP3 OH2 3.48570 0.38770 -15.24589 SOLV 521 -15.24589 2097 474 TIP3 H1 3.31614 0.54902 -16.11640 SOLV 521 -16.11640 2098 474 TIP3 H2 4.42264 0.57076 -15.18487 SOLV 521 -15.18487 2099 475 TIP3 OH2 7.30058 -2.23735 -9.62993 SOLV 522 -9.62993 2100 475 TIP3 H1 7.72004 -1.70361 -9.01379 SOLV 522 -9.01379 2101 475 TIP3 H2 8.10418 -2.33328 -10.18200 SOLV 522 -10.18200 2102 476 TIP3 OH2 2.57790 4.15321 -10.31084 SOLV 523 -10.31084 2103 476 TIP3 H1 3.37004 4.58333 -10.47616 SOLV 523 -10.47616 2104 476 TIP3 H2 2.83153 3.31926 -10.81122 SOLV 523 -10.81122 2105 477 TIP3 OH2 1.29289 1.64900 -17.56787 SOLV 524 -17.56787 2106 477 TIP3 H1 0.81149 2.02525 -18.30975 SOLV 524 -18.30975 2107 477 TIP3 H2 1.50626 0.76559 -17.88035 SOLV 524 -17.88035 2108 478 TIP3 OH2 -3.92412 6.52625 -14.98946 SOLV 525 -14.98946 2109 478 TIP3 H1 -3.56006 7.11650 -14.28999 SOLV 525 -14.28999 2110 478 TIP3 H2 -3.39559 6.73019 -15.83068 SOLV 525 -15.83068 2111 479 TIP3 OH2 -1.00965 -1.91856 -16.46222 SOLV 526 -16.46222 2112 479 TIP3 H1 -0.08381 -1.85388 -16.17111 SOLV 526 -16.17111 2113 479 TIP3 H2 -1.01196 -2.60145 -17.16902 SOLV 526 -17.16902 2114 480 TIP3 OH2 3.69952 -4.78268 -10.91704 SOLV 527 -10.91704 2115 480 TIP3 H1 3.76787 -5.75574 -10.98643 SOLV 527 -10.98643 2116 480 TIP3 H2 4.68638 -4.63404 -10.84225 SOLV 527 -10.84225 2117 481 TIP3 OH2 -0.75145 4.75910 -16.77297 SOLV 528 -16.77297 2118 481 TIP3 H1 -0.64601 4.29430 -15.90437 SOLV 528 -15.90437 2119 481 TIP3 H2 0.16886 4.83465 -16.98972 SOLV 528 -16.98972 2120 482 TIP3 OH2 -2.93321 8.01018 -13.00505 SOLV 529 -13.00505 2121 482 TIP3 H1 -2.10829 7.77139 -12.45956 SOLV 529 -12.45956 2122 482 TIP3 H2 -3.13943 8.96213 -12.86654 SOLV 529 -12.86654 2123 483 TIP3 OH2 -2.16348 4.68028 -12.08429 SOLV 530 -12.08429 2124 483 TIP3 H1 -2.71247 5.11975 -12.80236 SOLV 530 -12.80236 2125 483 TIP3 H2 -2.83336 4.62782 -11.38493 SOLV 530 -11.38493 2126 484 TIP3 OH2 -6.02137 7.74450 -16.31632 SOLV 531 -16.31632 2127 484 TIP3 H1 -6.49767 6.88438 -16.56437 SOLV 531 -16.56437 2128 484 TIP3 H2 -5.51981 7.35846 -15.51409 SOLV 531 -15.51409 2129 485 TIP3 OH2 6.73510 -0.14476 -17.33611 SOLV 532 -17.33611 2130 485 TIP3 H1 7.12837 -0.92580 -16.86250 SOLV 532 -16.86250 2131 485 TIP3 H2 6.57448 0.46691 -16.55790 SOLV 532 -16.55790 2132 486 TIP3 OH2 -4.07789 3.95594 -14.27176 SOLV 533 -14.27176 2133 486 TIP3 H1 -3.93205 4.88282 -14.53961 SOLV 533 -14.53961 2134 486 TIP3 H2 -4.34847 3.60167 -15.11082 SOLV 533 -15.11082 2135 487 TIP3 OH2 -5.24701 7.70474 -11.73092 SOLV 534 -11.73092 2136 487 TIP3 H1 -5.49531 6.75226 -11.60966 SOLV 534 -11.60966 2137 487 TIP3 H2 -4.49098 7.63093 -12.38326 SOLV 534 -12.38326 2138 488 TIP3 OH2 6.02855 4.06492 -11.36705 SOLV 535 -11.36705 2139 488 TIP3 H1 5.37161 4.82946 -11.30375 SOLV 535 -11.30375 2140 488 TIP3 H2 6.66177 4.37252 -12.03746 SOLV 535 -12.03746 2141 489 TIP3 OH2 0.32913 -2.15447 -13.43387 SOLV 536 -13.43387 2142 489 TIP3 H1 -0.32883 -2.84791 -13.19759 SOLV 536 -13.19759 2143 489 TIP3 H2 1.02569 -2.62105 -13.72146 SOLV 536 -13.72146 2144 490 TIP3 OH2 8.74424 9.00357 -11.46560 SOLV 537 -11.46560 2145 490 TIP3 H1 9.52394 8.40885 -11.38445 SOLV 537 -11.38445 2146 490 TIP3 H2 8.52813 8.97545 -12.35893 SOLV 537 -12.35893 2147 491 TIP3 OH2 0.61617 0.87343 -14.55871 SOLV 538 -14.55871 2148 491 TIP3 H1 1.50265 0.37547 -14.63912 SOLV 538 -14.63912 2149 491 TIP3 H2 0.58189 1.25458 -15.40532 SOLV 538 -15.40532 2150 492 TIP3 OH2 -8.23993 7.11385 -12.72707 SOLV 539 -12.72707 2151 492 TIP3 H1 -7.95263 6.64489 -11.95745 SOLV 539 -11.95745 2152 492 TIP3 H2 -7.92783 6.49299 -13.36970 SOLV 539 -13.36970 2153 493 TIP3 OH2 -7.81504 5.46113 -14.84048 SOLV 540 -14.84048 2154 493 TIP3 H1 -7.09858 4.77379 -14.90968 SOLV 540 -14.90968 2155 493 TIP3 H2 -7.66823 5.96492 -15.72935 SOLV 540 -15.72935 2156 494 TIP3 OH2 -2.46203 6.71323 -9.24526 SOLV 541 -9.24526 2157 494 TIP3 H1 -1.75682 6.62294 -9.90539 SOLV 541 -9.90539 2158 494 TIP3 H2 -1.99138 7.37719 -8.69922 SOLV 541 -8.69922 2159 495 TIP3 OH2 3.72761 -6.84018 -17.77601 SOLV 542 -17.77601 2160 495 TIP3 H1 4.12493 -6.35653 -17.03199 SOLV 542 -17.03199 2161 495 TIP3 H2 4.04543 -6.34806 -18.52736 SOLV 542 -18.52736 2162 496 TIP3 OH2 -7.13473 -0.64345 -11.88420 SOLV 543 -11.88420 2163 496 TIP3 H1 -6.37895 -0.32235 -11.33523 SOLV 543 -11.33523 2164 496 TIP3 H2 -6.90481 -0.31045 -12.80561 SOLV 543 -12.80561 2165 497 TIP3 OH2 8.39407 2.22393 -12.71179 SOLV 544 -12.71179 2166 497 TIP3 H1 8.72441 2.32513 -11.83979 SOLV 544 -11.83979 2167 497 TIP3 H2 7.59879 1.73781 -12.64097 SOLV 544 -12.64097 2168 498 TIP3 OH2 5.09717 4.05179 -17.15716 SOLV 545 -17.15716 2169 498 TIP3 H1 5.45644 4.19977 -16.23305 SOLV 545 -16.23305 2170 498 TIP3 H2 5.79961 4.68892 -17.54786 SOLV 545 -17.54786 2171 499 TIP3 OH2 1.24679 9.11300 -13.40790 SOLV 546 -13.40790 2172 499 TIP3 H1 1.59203 8.22976 -13.14077 SOLV 546 -13.14077 2173 499 TIP3 H2 1.53588 9.18222 -14.36148 SOLV 546 -14.36148 2174 500 TIP3 OH2 1.57375 -6.13772 -12.97509 SOLV 547 -12.97509 2175 500 TIP3 H1 2.26024 -6.25228 -13.67826 SOLV 547 -13.67826 2176 500 TIP3 H2 1.88096 -5.25715 -12.78216 SOLV 547 -12.78216 2177 501 TIP3 OH2 4.30512 -8.82044 -14.05593 SOLV 548 -14.05593 2178 501 TIP3 H1 5.23611 -8.74811 -14.34585 SOLV 548 -14.34585 2179 501 TIP3 H2 4.33417 -9.45579 -13.31663 SOLV 548 -13.31663 2180 502 TIP3 OH2 -9.06782 8.97932 -14.37371 SOLV 549 -14.37371 2181 502 TIP3 H1 -8.59841 8.29226 -13.87169 SOLV 549 -13.87169 2182 502 TIP3 H2 -8.39382 9.22834 -15.04624 SOLV 549 -15.04624 2183 503 TIP3 OH2 3.16444 8.84039 -10.57424 SOLV 550 -10.57424 2184 503 TIP3 H1 2.26969 9.18517 -10.31955 SOLV 550 -10.31955 2185 503 TIP3 H2 3.75593 8.99386 -9.81738 SOLV 550 -9.81738 2186 504 TIP3 OH2 -9.13087 -2.32370 -13.78923 SOLV 551 -13.78923 2187 504 TIP3 H1 -8.30408 -1.89880 -13.57757 SOLV 551 -13.57757 2188 504 TIP3 H2 -9.08662 -2.98879 -13.11926 SOLV 551 -13.11926 2189 505 TIP3 OH2 -2.22069 2.00823 -12.51941 SOLV 552 -12.51941 2190 505 TIP3 H1 -2.16409 2.97151 -12.76967 SOLV 552 -12.76967 2191 505 TIP3 H2 -2.33183 2.15265 -11.55530 SOLV 552 -11.55530 2192 506 TIP3 OH2 3.82010 -6.18485 -14.62958 SOLV 553 -14.62958 2193 506 TIP3 H1 4.59217 -5.76469 -14.20476 SOLV 553 -14.20476 2194 506 TIP3 H2 4.07517 -7.15684 -14.60181 SOLV 553 -14.60181 2195 507 TIP3 OH2 5.80366 4.55440 -14.58497 SOLV 554 -14.58497 2196 507 TIP3 H1 6.60168 4.92287 -14.07333 SOLV 554 -14.07333 2197 507 TIP3 H2 5.07405 4.73971 -13.99590 SOLV 554 -13.99590 2198 508 TIP3 OH2 -5.82072 2.64051 -10.40759 SOLV 555 -10.40759 2199 508 TIP3 H1 -5.46836 1.96005 -11.00564 SOLV 555 -11.00564 2200 508 TIP3 H2 -5.03339 3.17451 -10.13037 SOLV 555 -10.13037 2201 509 TIP3 OH2 -8.57888 1.30471 -10.38502 SOLV 556 -10.38502 2202 509 TIP3 H1 -7.93355 0.82883 -10.95872 SOLV 556 -10.95872 2203 509 TIP3 H2 -8.02721 2.04898 -10.11384 SOLV 556 -10.11384 2204 510 TIP3 OH2 -3.48472 4.17585 -9.67486 SOLV 557 -9.67486 2205 510 TIP3 H1 -3.41851 5.10048 -9.36307 SOLV 557 -9.36307 2206 510 TIP3 H2 -2.84242 3.69801 -9.07870 SOLV 557 -9.07870 2207 511 TIP3 OH2 2.74098 -0.41635 -10.61108 SOLV 558 -10.61108 2208 511 TIP3 H1 1.90616 0.04156 -10.88912 SOLV 558 -10.88912 2209 511 TIP3 H2 2.40951 -1.17595 -10.07476 SOLV 558 -10.07476 2210 512 TIP3 OH2 -7.25912 -8.59979 -16.12948 SOLV 559 -16.12948 2211 512 TIP3 H1 -6.46995 -8.06573 -16.02605 SOLV 559 -16.02605 2212 512 TIP3 H2 -6.80741 -9.47160 -16.36460 SOLV 559 -16.36460 2213 513 TIP3 OH2 3.17134 4.85332 -13.45303 SOLV 560 -13.45303 2214 513 TIP3 H1 3.25947 5.52173 -14.20562 SOLV 560 -14.20562 2215 513 TIP3 H2 2.25591 4.94894 -13.25380 SOLV 560 -13.25380 2216 514 TIP3 OH2 -4.68428 1.15431 -12.64262 SOLV 561 -12.64262 2217 514 TIP3 H1 -3.71077 1.24289 -12.44567 SOLV 561 -12.44567 2218 514 TIP3 H2 -4.79301 1.78369 -13.38264 SOLV 561 -13.38264 2219 515 TIP3 OH2 2.43614 6.78945 -15.64313 SOLV 562 -15.64313 2220 515 TIP3 H1 2.69898 7.65392 -15.81842 SOLV 562 -15.81842 2221 515 TIP3 H2 2.27074 6.32366 -16.45402 SOLV 562 -16.45402 2222 516 TIP3 OH2 -8.71961 -0.03108 -16.82155 SOLV 563 -16.82155 2223 516 TIP3 H1 -8.22722 -0.17760 -15.95240 SOLV 563 -15.95240 2224 516 TIP3 H2 -9.15971 0.80962 -16.68629 SOLV 563 -16.68629 2225 517 TIP3 OH2 5.88240 -4.73204 -13.36270 SOLV 564 -13.36270 2226 517 TIP3 H1 5.98384 -3.74354 -13.33245 SOLV 564 -13.33245 2227 517 TIP3 H2 6.14035 -5.02749 -12.48892 SOLV 564 -12.48892 2228 518 TIP3 OH2 8.10881 5.36555 -13.46393 SOLV 565 -13.46393 2229 518 TIP3 H1 8.77803 4.89033 -14.00981 SOLV 565 -14.00981 2230 518 TIP3 H2 8.67593 6.08160 -13.14335 SOLV 565 -13.14335 2231 519 TIP3 OH2 -0.45626 3.43549 -14.50987 SOLV 566 -14.50987 2232 519 TIP3 H1 0.10128 3.94617 -13.84803 SOLV 566 -13.84803 2233 519 TIP3 H2 -0.28270 2.49231 -14.26309 SOLV 566 -14.26309 2234 520 TIP3 OH2 -0.91742 -7.34916 -13.50699 SOLV 567 -13.50699 2235 520 TIP3 H1 -0.02025 -7.25139 -13.12341 SOLV 567 -13.12341 2236 520 TIP3 H2 -1.36921 -7.18228 -12.68577 SOLV 567 -12.68577 2237 521 TIP3 OH2 -2.69495 -3.74107 -10.83027 SOLV 568 -10.83027 2238 521 TIP3 H1 -2.69557 -3.47758 -9.86318 SOLV 568 -9.86318 2239 521 TIP3 H2 -2.02494 -4.48186 -10.94939 SOLV 568 -10.94939 2240 522 SOD SOD -0.70992 -0.20692 -13.06406 SOLV 569 -13.06406 2241 523 TIP3 OH2 -2.96046 10.15999 -15.23994 SOLV 570 -15.23994 2242 523 TIP3 H1 -2.62347 9.55735 -15.90963 SOLV 570 -15.90963 2243 523 TIP3 H2 -2.15449 10.39428 -14.75602 SOLV 570 -14.75602 2244 524 TIP3 OH2 4.52204 16.10148 -9.30558 SOLV 571 -9.30558 2245 524 TIP3 H1 5.48329 16.23537 -9.07242 SOLV 571 -9.07242 2246 524 TIP3 H2 4.49360 16.84688 -9.93621 SOLV 571 -9.93621 2247 525 TIP3 OH2 8.85552 12.00540 -15.29778 SOLV 572 -15.29778 2248 525 TIP3 H1 9.49223 11.28425 -15.39117 SOLV 572 -15.39117 2249 525 TIP3 H2 9.38006 12.72024 -15.77809 SOLV 572 -15.77809 2250 526 TIP3 OH2 6.90654 10.14904 -14.74859 SOLV 573 -14.74859 2251 526 TIP3 H1 7.29967 11.04983 -14.59998 SOLV 573 -14.59998 2252 526 TIP3 H2 7.74581 9.51784 -14.64607 SOLV 573 -14.64607 2253 527 TIP3 OH2 -0.53654 13.13548 -10.08173 SOLV 574 -10.08173 2254 527 TIP3 H1 0.05250 12.76436 -9.43047 SOLV 574 -9.43047 2255 527 TIP3 H2 -0.05229 13.94063 -10.34870 SOLV 574 -10.34870 2256 528 TIP3 OH2 7.76373 10.39924 -17.70311 SOLV 575 -17.70311 2257 528 TIP3 H1 7.08594 11.12585 -17.77777 SOLV 575 -17.77777 2258 528 TIP3 H2 7.44189 9.80557 -17.02413 SOLV 575 -17.02413 2259 529 TIP3 OH2 -2.25773 11.25651 -10.85681 SOLV 576 -10.85681 2260 529 TIP3 H1 -1.73085 10.43268 -10.68459 SOLV 576 -10.68459 2261 529 TIP3 H2 -1.59133 11.92091 -10.48683 SOLV 576 -10.48683 2262 530 TIP3 OH2 -8.88236 16.43234 -10.67570 SOLV 577 -10.67570 2263 530 TIP3 H1 -8.32998 15.63537 -10.56058 SOLV 577 -10.56058 2264 530 TIP3 H2 -8.36075 17.00913 -11.19785 SOLV 577 -11.19785 2265 531 TIP3 OH2 -9.28354 14.78089 -16.74134 SOLV 578 -16.74134 2266 531 TIP3 H1 -9.19595 15.21614 -15.89340 SOLV 578 -15.89340 2267 531 TIP3 H2 -8.41416 14.28875 -16.77196 SOLV 578 -16.77196 2268 532 TIP3 OH2 1.74035 16.08671 -16.10162 SOLV 579 -16.10162 2269 532 TIP3 H1 2.66120 15.96546 -15.76880 SOLV 579 -15.76880 2270 532 TIP3 H2 1.45521 15.21307 -15.84481 SOLV 579 -15.84481 2271 533 TIP3 OH2 4.42331 15.69251 -15.52060 SOLV 580 -15.52060 2272 533 TIP3 H1 5.34101 15.81978 -15.08405 SOLV 580 -15.08405 2273 533 TIP3 H2 4.53019 15.51182 -16.50507 SOLV 580 -16.50507 2274 534 TIP3 OH2 -2.47700 17.34295 -12.02871 SOLV 581 -12.02871 2275 534 TIP3 H1 -2.72656 16.45475 -11.91884 SOLV 581 -11.91884 2276 534 TIP3 H2 -3.04563 17.81502 -11.37656 SOLV 581 -11.37656 2277 535 TIP3 OH2 -0.22761 14.51997 -17.99980 SOLV 582 -17.99980 2278 535 TIP3 H1 -0.40276 13.86447 -18.68433 SOLV 582 -18.68433 2279 535 TIP3 H2 0.67351 14.71472 -18.03567 SOLV 582 -18.03567 2280 536 TIP3 OH2 -7.44690 13.00077 -16.95840 SOLV 583 -16.95840 2281 536 TIP3 H1 -7.43414 13.08062 -17.92563 SOLV 583 -17.92563 2282 536 TIP3 H2 -6.58171 12.62306 -16.73593 SOLV 583 -16.73593 2283 537 TIP3 OH2 6.85734 13.40736 -16.79896 SOLV 584 -16.79896 2284 537 TIP3 H1 7.49332 14.09826 -16.79684 SOLV 584 -16.79684 2285 537 TIP3 H2 6.95026 12.95991 -15.98339 SOLV 584 -15.98339 2286 538 TIP3 OH2 2.83964 9.40558 -16.28561 SOLV 585 -16.28561 2287 538 TIP3 H1 2.59653 10.34873 -16.55631 SOLV 585 -16.55631 2288 538 TIP3 H2 3.41949 9.65200 -15.52982 SOLV 585 -15.52982 2289 539 TIP3 OH2 -8.23592 13.43461 -10.37649 SOLV 586 -10.37649 2290 539 TIP3 H1 -7.30740 13.62028 -10.51878 SOLV 586 -10.51878 2291 539 TIP3 H2 -8.60853 13.33669 -11.26528 SOLV 586 -11.26528 2292 540 TIP3 OH2 3.99076 11.22576 -11.34157 SOLV 587 -11.34157 2293 540 TIP3 H1 3.27060 10.59657 -11.00389 SOLV 587 -11.00389 2294 540 TIP3 H2 3.94669 11.02850 -12.26810 SOLV 587 -12.26810 2295 541 TIP3 OH2 -1.31545 14.34266 -13.96364 SOLV 588 -13.96364 2296 541 TIP3 H1 -2.18089 14.25338 -14.48111 SOLV 588 -14.48111 2297 541 TIP3 H2 -0.96133 13.40051 -14.06000 SOLV 588 -14.06000 2298 542 TIP3 OH2 5.41141 16.75361 -12.64154 SOLV 589 -12.64154 2299 542 TIP3 H1 5.65484 17.56281 -12.14970 SOLV 589 -12.14970 2300 542 TIP3 H2 4.47066 16.83914 -12.59439 SOLV 589 -12.59439 2301 543 TIP3 OH2 -5.07531 11.64867 -16.66196 SOLV 590 -16.66196 2302 543 TIP3 H1 -4.28579 11.14091 -16.26148 SOLV 590 -16.26148 2303 543 TIP3 H2 -4.54856 12.10940 -17.28800 SOLV 590 -17.28800 2304 544 TIP3 OH2 -5.66691 10.36668 -10.78132 SOLV 591 -10.78132 2305 544 TIP3 H1 -5.70352 10.97408 -11.50800 SOLV 591 -11.50800 2306 544 TIP3 H2 -5.63052 9.55675 -11.27258 SOLV 591 -11.27258 2307 545 TIP3 OH2 7.14871 16.80766 -14.94162 SOLV 592 -14.94162 2308 545 TIP3 H1 6.72474 17.32173 -14.23819 SOLV 592 -14.23819 2309 545 TIP3 H2 8.07892 16.84313 -14.56751 SOLV 592 -14.56751 2310 546 TIP3 OH2 6.56503 13.85468 -10.70161 SOLV 593 -10.70161 2311 546 TIP3 H1 7.13990 13.37130 -10.14341 SOLV 593 -10.14341 2312 546 TIP3 H2 6.69488 14.77636 -10.35301 SOLV 593 -10.35301 2313 547 TIP3 OH2 -4.95797 17.80279 -9.98829 SOLV 594 -9.98829 2314 547 TIP3 H1 -5.62465 18.13399 -9.34492 SOLV 594 -9.34492 2315 547 TIP3 H2 -5.01724 16.88612 -9.88671 SOLV 594 -9.88671 2316 548 TIP3 OH2 1.38019 15.17223 -10.30282 SOLV 595 -10.30282 2317 548 TIP3 H1 2.16322 14.58155 -10.21227 SOLV 595 -10.21227 2318 548 TIP3 H2 1.54222 15.37352 -11.24330 SOLV 595 -11.24330 2319 549 TIP3 OH2 9.25240 13.46030 -12.85558 SOLV 596 -12.85558 2320 549 TIP3 H1 9.50584 12.78092 -13.45327 SOLV 596 -13.45327 2321 549 TIP3 H2 8.28824 13.65623 -13.19972 SOLV 596 -13.19972 2322 550 TIP3 OH2 -5.56453 14.42479 -10.82674 SOLV 597 -10.82674 2323 550 TIP3 H1 -4.62338 14.09305 -10.88019 SOLV 597 -10.88019 2324 550 TIP3 H2 -5.51391 14.92857 -11.65883 SOLV 597 -11.65883 2325 551 TIP3 OH2 5.57822 10.97515 -9.10489 SOLV 598 -9.10489 2326 551 TIP3 H1 5.22120 11.00635 -10.01824 SOLV 598 -10.01824 2327 551 TIP3 H2 6.06462 10.13483 -9.10337 SOLV 598 -9.10337 2328 552 TIP3 OH2 2.82513 15.29501 -13.13409 SOLV 599 -13.13409 2329 552 TIP3 H1 3.40074 14.92074 -12.43055 SOLV 599 -12.43055 2330 552 TIP3 H2 3.46782 15.50837 -13.84507 SOLV 599 -13.84507 2331 553 TIP3 OH2 7.30058 16.41612 -9.62993 SOLV 600 -9.62993 2332 553 TIP3 H1 7.72004 16.94986 -9.01379 SOLV 600 -9.01379 2333 553 TIP3 H2 8.10418 16.32019 -10.18200 SOLV 600 -10.18200 2334 554 TIP3 OH2 -1.00965 16.73491 -16.46222 SOLV 601 -16.46222 2335 554 TIP3 H1 -0.08381 16.79959 -16.17111 SOLV 601 -16.17111 2336 554 TIP3 H2 -1.01196 16.05202 -17.16902 SOLV 601 -17.16902 2337 555 TIP3 OH2 3.69952 13.87079 -10.91704 SOLV 602 -10.91704 2338 555 TIP3 H1 3.76787 12.89773 -10.98643 SOLV 602 -10.98643 2339 555 TIP3 H2 4.68638 14.01943 -10.84225 SOLV 602 -10.84225 2340 556 TIP3 OH2 0.32913 16.49900 -13.43387 SOLV 603 -13.43387 2341 556 TIP3 H1 -0.32883 15.80556 -13.19759 SOLV 603 -13.19759 2342 556 TIP3 H2 1.02569 16.03242 -13.72146 SOLV 603 -13.72146 2343 557 TIP3 OH2 3.72761 11.81329 -17.77601 SOLV 604 -17.77601 2344 557 TIP3 H1 4.12493 12.29694 -17.03199 SOLV 604 -17.03199 2345 557 TIP3 H2 4.04543 12.30541 -18.52736 SOLV 604 -18.52736 2346 558 TIP3 OH2 1.57375 12.51575 -12.97509 SOLV 605 -12.97509 2347 558 TIP3 H1 2.26024 12.40119 -13.67826 SOLV 605 -13.67826 2348 558 TIP3 H2 1.88096 13.39632 -12.78216 SOLV 605 -12.78216 2349 559 TIP3 OH2 4.30512 9.83303 -14.05593 SOLV 606 -14.05593 2350 559 TIP3 H1 5.23611 9.90536 -14.34585 SOLV 606 -14.34585 2351 559 TIP3 H2 4.33417 9.19768 -13.31663 SOLV 606 -13.31663 2352 560 TIP3 OH2 -9.13087 16.32977 -13.78923 SOLV 607 -13.78923 2353 560 TIP3 H1 -8.30408 16.75467 -13.57757 SOLV 607 -13.57757 2354 560 TIP3 H2 -9.08662 15.66468 -13.11926 SOLV 607 -13.11926 2355 561 TIP3 OH2 3.82010 12.46862 -14.62958 SOLV 608 -14.62958 2356 561 TIP3 H1 4.59217 12.88878 -14.20476 SOLV 608 -14.20476 2357 561 TIP3 H2 4.07517 11.49663 -14.60181 SOLV 608 -14.60181 2358 562 TIP3 OH2 -7.25912 10.05368 -16.12948 SOLV 609 -16.12948 2359 562 TIP3 H1 -6.46995 10.58774 -16.02605 SOLV 609 -16.02605 2360 562 TIP3 H2 -6.80741 9.18187 -16.36460 SOLV 609 -16.36460 2361 563 TIP3 OH2 5.88240 13.92143 -13.36270 SOLV 610 -13.36270 2362 563 TIP3 H1 5.98384 14.90993 -13.33245 SOLV 610 -13.33245 2363 563 TIP3 H2 6.14035 13.62598 -12.48892 SOLV 610 -12.48892 2364 564 TIP3 OH2 -0.91742 11.30431 -13.50699 SOLV 611 -13.50699 2365 564 TIP3 H1 -0.02025 11.40208 -13.12341 SOLV 611 -13.12341 2366 564 TIP3 H2 -1.36921 11.47119 -12.68577 SOLV 611 -12.68577 2367 565 TIP3 OH2 -2.69495 14.91240 -10.83027 SOLV 612 -10.83027 2368 565 TIP3 H1 -2.69557 15.17589 -9.86318 SOLV 612 -9.86318 2369 565 TIP3 H2 -2.02494 14.17161 -10.94939 SOLV 612 -10.94939 2370 566 TIP3 OH2 -28.04120 -10.77968 -4.26716 SOLV 613 -4.26716 2371 566 TIP3 H1 -27.74371 -11.12602 -5.13790 SOLV 613 -5.13790 2372 566 TIP3 H2 -28.77250 -10.22780 -4.53899 SOLV 613 -4.53899 2373 567 TIP3 OH2 -27.74824 -13.05593 7.98367 SOLV 614 7.98367 2374 567 TIP3 H1 -27.81478 -12.54032 8.82304 SOLV 614 8.82304 2375 567 TIP3 H2 -28.28720 -13.79255 8.18323 SOLV 614 8.18323 2376 568 TIP3 OH2 -29.62865 -14.76884 -9.16371 SOLV 615 -9.16371 2377 568 TIP3 H1 -30.31793 -14.72919 -9.82940 SOLV 615 -9.82940 2378 568 TIP3 H2 -29.97118 -14.17661 -8.47162 SOLV 615 -8.47162 2379 569 TIP3 OH2 -28.26777 -11.63218 -8.37383 SOLV 616 -8.37383 2380 569 TIP3 H1 -28.86967 -12.02412 -7.74716 SOLV 616 -7.74716 2381 569 TIP3 H2 -27.48708 -11.44941 -7.81180 SOLV 616 -7.81180 2382 570 TIP3 OH2 -27.75162 -10.88722 0.39072 SOLV 617 0.39072 2383 570 TIP3 H1 -28.70273 -10.86089 0.18225 SOLV 617 0.18225 2384 570 TIP3 H2 -27.47319 -9.90559 0.39527 SOLV 617 0.39527 2385 571 TIP3 OH2 -28.56270 -9.64990 7.18787 SOLV 618 7.18787 2386 571 TIP3 H1 -27.78300 -10.24462 7.26902 SOLV 618 7.26902 2387 571 TIP3 H2 -28.77881 -9.67802 6.29454 SOLV 618 6.29454 2388 572 TIP3 OH2 -29.98609 -13.41565 0.15282 SOLV 619 0.15282 2389 572 TIP3 H1 -29.66234 -14.24261 -0.18930 SOLV 619 -0.18930 2390 572 TIP3 H2 -29.42015 -12.75703 -0.32596 SOLV 619 -0.32596 2391 573 TIP3 OH2 -28.75390 -17.35984 -3.96240 SOLV 620 -3.96240 2392 573 TIP3 H1 -28.74514 -17.80390 -3.05488 SOLV 620 -3.05488 2393 573 TIP3 H2 -27.95619 -17.77982 -4.23174 SOLV 620 -4.23174 2394 574 TIP3 OH2 -28.91287 -16.42954 5.94168 SOLV 621 5.94168 2395 574 TIP3 H1 -28.58253 -16.32834 6.81368 SOLV 621 6.81368 2396 574 TIP3 H2 -29.70815 -16.91566 6.01250 SOLV 621 6.01250 2397 575 TIP3 OH2 -28.49264 -16.63134 -7.33486 SOLV 622 -7.33486 2398 575 TIP3 H1 -27.57119 -16.65330 -6.92753 SOLV 622 -6.92753 2399 575 TIP3 H2 -28.28748 -15.98288 -8.02441 SOLV 622 -8.02441 2400 576 TIP3 OH2 -29.26045 -15.36822 -1.82466 SOLV 623 -1.82466 2401 576 TIP3 H1 -29.36264 -15.52096 -2.79318 SOLV 623 -2.79318 2402 576 TIP3 H2 -28.75177 -16.17430 -1.66884 SOLV 623 -1.66884 2403 577 TIP3 OH2 -28.60079 -12.47207 -2.36766 SOLV 624 -2.36766 2404 577 TIP3 H1 -29.27034 -11.93722 -1.91411 SOLV 624 -1.91411 2405 577 TIP3 H2 -28.25031 -11.84791 -3.00085 SOLV 624 -3.00085 2406 578 TIP3 OH2 -28.95117 -13.70165 -5.00243 SOLV 625 -5.00243 2407 578 TIP3 H1 -28.26184 -14.34281 -5.15511 SOLV 625 -5.15511 2408 578 TIP3 H2 -28.69735 -13.34420 -4.12930 SOLV 625 -4.12930 2409 579 TIP3 OH2 -29.19813 -13.28792 5.18954 SOLV 626 5.18954 2410 579 TIP3 H1 -28.52891 -13.76314 4.64366 SOLV 626 4.64366 2411 579 TIP3 H2 -28.63101 -12.57187 5.51012 SOLV 626 5.51012 2412 580 TIP3 OH2 -28.45142 -6.64807 3.35569 SOLV 627 3.35569 2413 580 TIP3 H1 -27.81471 -7.36922 3.26230 SOLV 627 3.26230 2414 580 TIP3 H2 -27.92688 -5.93323 2.87538 SOLV 627 2.87538 2415 581 TIP3 OH2 -29.54321 -8.25423 0.95036 SOLV 628 0.95036 2416 581 TIP3 H1 -30.22100 -7.52762 0.87570 SOLV 628 0.87570 2417 581 TIP3 H2 -29.86505 -8.84790 1.62934 SOLV 628 1.62934 2418 582 TIP3 OH2 -28.04120 7.87379 -4.26716 SOLV 629 -4.26716 2419 582 TIP3 H1 -27.74371 7.52745 -5.13790 SOLV 629 -5.13790 2420 582 TIP3 H2 -28.77250 8.42567 -4.53899 SOLV 629 -4.53899 2421 583 TIP3 OH2 -27.74824 5.59754 7.98367 SOLV 630 7.98367 2422 583 TIP3 H1 -27.81478 6.11315 8.82304 SOLV 630 8.82304 2423 583 TIP3 H2 -28.28720 4.86092 8.18323 SOLV 630 8.18323 2424 584 TIP3 OH2 -29.62865 3.88463 -9.16371 SOLV 631 -9.16371 2425 584 TIP3 H1 -30.31793 3.92428 -9.82940 SOLV 631 -9.82940 2426 584 TIP3 H2 -29.97118 4.47686 -8.47162 SOLV 631 -8.47162 2427 585 TIP3 OH2 -28.38767 -0.46554 -8.42472 SOLV 632 -8.42472 2428 585 TIP3 H1 -28.66382 0.23254 -7.87420 SOLV 632 -7.87420 2429 585 TIP3 H2 -27.82893 -0.04733 -9.14438 SOLV 632 -9.14438 2430 586 TIP3 OH2 -29.61598 -8.14999 -2.38996 SOLV 633 -2.38996 2431 586 TIP3 H1 -28.90242 -7.63414 -2.66199 SOLV 633 -2.66199 2432 586 TIP3 H2 -29.88942 -8.55328 -3.23953 SOLV 633 -3.23953 2433 587 TIP3 OH2 -28.26777 7.02129 -8.37383 SOLV 634 -8.37383 2434 587 TIP3 H1 -28.86967 6.62935 -7.74716 SOLV 634 -7.74716 2435 587 TIP3 H2 -27.48708 7.20406 -7.81180 SOLV 634 -7.81180 2436 588 TIP3 OH2 -28.72342 -3.42228 -1.83882 SOLV 635 -1.83882 2437 588 TIP3 H1 -28.69057 -2.80573 -1.09225 SOLV 635 -1.09225 2438 588 TIP3 H2 -27.85354 -3.72879 -1.90677 SOLV 635 -1.90677 2439 589 TIP3 OH2 -28.05454 -5.19317 5.79789 SOLV 636 5.79789 2440 589 TIP3 H1 -27.80110 -5.87255 5.20020 SOLV 636 5.20020 2441 589 TIP3 H2 -29.01870 -4.99724 5.45375 SOLV 636 5.45375 2442 590 TIP3 OH2 -29.02808 -1.08341 -5.78339 SOLV 637 -5.78339 2443 590 TIP3 H1 -28.78895 -0.98224 -6.66676 SOLV 637 -6.66676 2444 590 TIP3 H2 -28.20401 -1.37239 -5.35816 SOLV 637 -5.35816 2445 591 TIP3 OH2 -29.65972 -6.61838 -6.55872 SOLV 638 -6.55872 2446 591 TIP3 H1 -29.35378 -7.09588 -7.40708 SOLV 638 -7.40708 2447 591 TIP3 H2 -29.80530 -5.80549 -7.02448 SOLV 638 -7.02448 2448 592 TIP3 OH2 -29.20839 0.00206 -1.34707 SOLV 639 -1.34707 2449 592 TIP3 H1 -29.54646 0.33722 -0.47779 SOLV 639 -0.47779 2450 592 TIP3 H2 -28.25308 0.01565 -1.10388 SOLV 639 -1.10388 2451 593 TIP3 OH2 -27.75162 7.76625 0.39072 SOLV 640 0.39072 2452 593 TIP3 H1 -28.70273 7.79258 0.18225 SOLV 640 0.18225 2453 593 TIP3 H2 -27.47319 8.74788 0.39527 SOLV 640 0.39527 2454 594 TIP3 OH2 -28.56270 9.00357 7.18787 SOLV 641 7.18787 2455 594 TIP3 H1 -27.78300 8.40885 7.26902 SOLV 641 7.26902 2456 594 TIP3 H2 -28.77881 8.97545 6.29454 SOLV 641 6.29454 2457 595 TIP3 OH2 -29.98609 5.23782 0.15282 SOLV 642 0.15282 2458 595 TIP3 H1 -29.66234 4.41086 -0.18930 SOLV 642 -0.18930 2459 595 TIP3 H2 -29.42015 5.89644 -0.32596 SOLV 642 -0.32596 2460 596 TIP3 OH2 -28.75390 1.29363 -3.96240 SOLV 643 -3.96240 2461 596 TIP3 H1 -28.74514 0.84957 -3.05488 SOLV 643 -3.05488 2462 596 TIP3 H2 -27.95619 0.87365 -4.23174 SOLV 643 -4.23174 2463 597 TIP3 OH2 -28.91287 2.22393 5.94168 SOLV 644 5.94168 2464 597 TIP3 H1 -28.58253 2.32513 6.81368 SOLV 644 6.81368 2465 597 TIP3 H2 -29.70815 1.73781 6.01250 SOLV 644 6.01250 2466 598 TIP3 OH2 -28.49264 2.02213 -7.33486 SOLV 645 -7.33486 2467 598 TIP3 H1 -27.57119 2.00017 -6.92753 SOLV 645 -6.92753 2468 598 TIP3 H2 -28.28748 2.67059 -8.02441 SOLV 645 -8.02441 2469 599 TIP3 OH2 -29.26045 3.28525 -1.82466 SOLV 646 -1.82466 2470 599 TIP3 H1 -29.36264 3.13251 -2.79318 SOLV 646 -2.79318 2471 599 TIP3 H2 -28.75177 2.47917 -1.66884 SOLV 646 -1.66884 2472 600 TIP3 OH2 -28.60079 6.18140 -2.36766 SOLV 647 -2.36766 2473 600 TIP3 H1 -29.27034 6.71625 -1.91411 SOLV 647 -1.91411 2474 600 TIP3 H2 -28.25031 6.80556 -3.00085 SOLV 647 -3.00085 2475 601 TIP3 OH2 -28.81025 -4.52303 -8.07454 SOLV 648 -8.07454 2476 601 TIP3 H1 -28.80711 -3.59379 -7.93925 SOLV 648 -7.93925 2477 601 TIP3 H2 -28.21485 -4.69441 -8.81530 SOLV 648 -8.81530 2478 602 TIP3 OH2 -28.95117 4.95182 -5.00243 SOLV 649 -5.00243 2479 602 TIP3 H1 -28.26184 4.31066 -5.15511 SOLV 649 -5.15511 2480 602 TIP3 H2 -28.69735 5.30927 -4.12930 SOLV 649 -4.12930 2481 603 TIP3 OH2 -28.36902 -6.43175 -4.11513 SOLV 650 -4.11513 2482 603 TIP3 H1 -28.33999 -6.79442 -5.07533 SOLV 650 -5.07533 2483 603 TIP3 H2 -29.05903 -5.74293 -4.13853 SOLV 650 -4.13853 2484 604 TIP3 OH2 -29.19813 5.36555 5.18954 SOLV 651 5.18954 2485 604 TIP3 H1 -28.52891 4.89033 4.64366 SOLV 651 4.64366 2486 604 TIP3 H2 -28.63101 6.08160 5.51012 SOLV 651 5.51012 2487 605 TIP3 OH2 -28.45142 12.00540 3.35569 SOLV 652 3.35569 2488 605 TIP3 H1 -27.81471 11.28425 3.26230 SOLV 652 3.26230 2489 605 TIP3 H2 -27.92688 12.72024 2.87538 SOLV 652 2.87538 2490 606 TIP3 OH2 -29.54321 10.39924 0.95036 SOLV 653 0.95036 2491 606 TIP3 H1 -30.22100 11.12585 0.87570 SOLV 653 0.87570 2492 606 TIP3 H2 -29.86505 9.80557 1.62934 SOLV 653 1.62934 2493 607 TIP3 OH2 -29.61598 10.50348 -2.38996 SOLV 654 -2.38996 2494 607 TIP3 H1 -28.90242 11.01933 -2.66199 SOLV 654 -2.66199 2495 607 TIP3 H2 -29.88942 10.10019 -3.23953 SOLV 654 -3.23953 2496 608 TIP3 OH2 -28.72342 15.23119 -1.83882 SOLV 655 -1.83882 2497 608 TIP3 H1 -28.69057 15.84774 -1.09225 SOLV 655 -1.09225 2498 608 TIP3 H2 -27.85354 14.92468 -1.90677 SOLV 655 -1.90677 2499 609 TIP3 OH2 -28.05454 13.46030 5.79789 SOLV 656 5.79789 2500 609 TIP3 H1 -27.80110 12.78092 5.20020 SOLV 656 5.20020 2501 609 TIP3 H2 -29.01870 13.65623 5.45375 SOLV 656 5.45375 2502 610 TIP3 OH2 -29.02808 17.57006 -5.78339 SOLV 657 -5.78339 2503 610 TIP3 H1 -28.78895 17.67123 -6.66676 SOLV 657 -6.66676 2504 610 TIP3 H2 -28.20401 17.28108 -5.35816 SOLV 657 -5.35816 2505 611 TIP3 OH2 -29.65972 12.03509 -6.55872 SOLV 658 -6.55872 2506 611 TIP3 H1 -29.35378 11.55759 -7.40708 SOLV 658 -7.40708 2507 611 TIP3 H2 -29.80530 12.84798 -7.02448 SOLV 658 -7.02448 2508 612 TIP3 OH2 -28.81025 14.13044 -8.07454 SOLV 659 -8.07454 2509 612 TIP3 H1 -28.80711 15.05968 -7.93925 SOLV 659 -7.93925 2510 612 TIP3 H2 -28.21485 13.95906 -8.81530 SOLV 659 -8.81530 2511 613 TIP3 OH2 -28.36902 12.22172 -4.11513 SOLV 660 -4.11513 2512 613 TIP3 H1 -28.33999 11.85905 -5.07533 SOLV 660 -5.07533 2513 613 TIP3 H2 -29.05903 12.91054 -4.13853 SOLV 660 -4.13853 2514 614 TIP3 OH2 -17.45882 -15.14591 -7.90671 SOLV 661 -7.90671 2515 614 TIP3 H1 -16.95525 -14.62924 -7.23080 SOLV 661 -7.23080 2516 614 TIP3 H2 -16.98282 -14.91230 -8.71326 SOLV 661 -8.71326 2517 615 TIP3 OH2 -11.67965 -10.14744 9.03408 SOLV 662 9.03408 2518 615 TIP3 H1 -11.15798 -9.91267 8.27089 SOLV 662 8.27089 2519 615 TIP3 H2 -10.99860 -10.78751 9.42276 SOLV 662 9.42276 2520 616 TIP3 OH2 -22.78068 -13.72921 0.27475 SOLV 663 0.27475 2521 616 TIP3 H1 -22.14833 -12.99271 0.33971 SOLV 663 0.33971 2522 616 TIP3 H2 -23.59741 -13.27390 0.29465 SOLV 663 0.29465 2523 617 TIP3 OH2 -23.31103 -9.53258 -0.62609 SOLV 664 -0.62609 2524 617 TIP3 H1 -23.45583 -10.02085 0.20350 SOLV 664 0.20350 2525 617 TIP3 H2 -24.13888 -9.74892 -1.07407 SOLV 664 -1.07407 2526 618 TIP3 OH2 -20.98839 -17.01567 -9.71410 SOLV 665 -9.71410 2527 618 TIP3 H1 -20.70410 -16.53071 -8.92722 SOLV 665 -8.92722 2528 618 TIP3 H2 -21.41139 -17.91965 -9.40723 SOLV 665 -9.40723 2529 619 TIP3 OH2 -18.93698 -11.06676 -2.66253 SOLV 666 -2.66253 2530 619 TIP3 H1 -19.80695 -11.38899 -2.35555 SOLV 666 -2.35555 2531 619 TIP3 H2 -18.30534 -11.35595 -1.93149 SOLV 666 -1.93149 2532 620 TIP3 OH2 -20.04535 -15.83520 -7.45380 SOLV 667 -7.45380 2533 620 TIP3 H1 -19.90577 -15.43310 -6.55556 SOLV 667 -6.55556 2534 620 TIP3 H2 -19.05856 -15.61347 -7.59167 SOLV 667 -7.59167 2535 621 TIP3 OH2 -20.99999 -11.76858 0.99736 SOLV 668 0.99736 2536 621 TIP3 H1 -20.30163 -11.01166 1.06871 SOLV 668 1.06871 2537 621 TIP3 H2 -20.49799 -12.49531 1.39218 SOLV 668 1.39218 2538 622 TIP3 OH2 -26.86466 -17.09527 -1.18481 SOLV 669 -1.18481 2539 622 TIP3 H1 -26.82112 -16.22401 -1.06369 SOLV 669 -1.06369 2540 622 TIP3 H2 -25.94999 -17.33411 -1.34420 SOLV 669 -1.34420 2541 623 TIP3 OH2 -26.07258 -16.19956 -6.57559 SOLV 670 -6.57559 2542 623 TIP3 H1 -26.27094 -15.96793 -5.65995 SOLV 670 -5.65995 2543 623 TIP3 H2 -25.45730 -15.42120 -6.65308 SOLV 670 -6.65308 2544 624 TIP3 OH2 -9.38773 -10.77968 -4.26716 SOLV 671 -4.26716 2545 624 TIP3 H1 -9.09024 -11.12602 -5.13790 SOLV 671 -5.13790 2546 624 TIP3 H2 -10.11903 -10.22780 -4.53899 SOLV 671 -4.53899 2547 625 TIP3 OH2 -24.58507 -13.58961 6.39041 SOLV 672 6.39041 2548 625 TIP3 H1 -24.22165 -14.25922 5.84034 SOLV 672 5.84034 2549 625 TIP3 H2 -25.12355 -14.05805 7.04034 SOLV 672 7.04034 2550 626 TIP3 OH2 -9.09477 -13.05593 7.98367 SOLV 673 7.98367 2551 626 TIP3 H1 -9.16131 -12.54032 8.82304 SOLV 673 8.82304 2552 626 TIP3 H2 -9.63373 -13.79255 8.18323 SOLV 673 8.18323 2553 627 TIP3 OH2 -26.13337 -11.39923 -6.84457 SOLV 674 -6.84457 2554 627 TIP3 H1 -25.80181 -10.71645 -7.38398 SOLV 674 -7.38398 2555 627 TIP3 H2 -25.31475 -11.92896 -6.78329 SOLV 674 -6.78329 2556 628 TIP3 OH2 -10.97518 -14.76884 -9.16371 SOLV 675 -9.16371 2557 628 TIP3 H1 -11.66446 -14.72919 -9.82940 SOLV 675 -9.82940 2558 628 TIP3 H2 -11.31771 -14.17661 -8.47162 SOLV 675 -8.47162 2559 629 TIP3 OH2 -19.11086 -15.42048 -0.75896 SOLV 676 -0.75896 2560 629 TIP3 H1 -20.00174 -15.41454 -1.14256 SOLV 676 -1.14256 2561 629 TIP3 H2 -19.34236 -14.99768 0.09739 SOLV 676 0.09739 2562 630 TIP3 OH2 -23.19691 -11.37622 -7.22681 SOLV 677 -7.22681 2563 630 TIP3 H1 -23.69753 -10.54730 -7.15066 SOLV 677 -7.15066 2564 630 TIP3 H2 -22.48631 -11.17217 -7.82766 SOLV 677 -7.82766 2565 631 TIP3 OH2 -12.44114 -17.27037 -6.97557 SOLV 678 -6.97557 2566 631 TIP3 H1 -12.84463 -17.13627 -7.83795 SOLV 678 -7.83795 2567 631 TIP3 H2 -11.55747 -16.84559 -7.11832 SOLV 678 -7.11832 2568 632 TIP3 OH2 -13.89011 -17.81468 9.51642 SOLV 679 9.51642 2569 632 TIP3 H1 -13.39676 -17.62749 8.60083 SOLV 679 8.60083 2570 632 TIP3 H2 -14.76571 -18.18392 9.16836 SOLV 679 9.16836 2571 633 TIP3 OH2 -19.35295 -11.63018 -5.33629 SOLV 680 -5.33629 2572 633 TIP3 H1 -19.14235 -12.55318 -5.51669 SOLV 680 -5.51669 2573 633 TIP3 H2 -18.86581 -11.42309 -4.54278 SOLV 680 -4.54278 2574 634 TIP3 OH2 -27.71130 -16.33147 3.34809 SOLV 681 3.34809 2575 634 TIP3 H1 -28.08717 -16.43312 4.22832 SOLV 681 4.22832 2576 634 TIP3 H2 -27.36623 -15.40996 3.30419 SOLV 681 3.30419 2577 635 TIP3 OH2 -14.02246 -12.44371 7.91502 SOLV 682 7.91502 2578 635 TIP3 H1 -14.63585 -11.81650 7.52957 SOLV 682 7.52957 2579 635 TIP3 H2 -14.03875 -12.03819 8.81665 SOLV 682 8.81665 2580 636 TIP3 OH2 -17.33417 -15.19267 -3.01256 SOLV 683 -3.01256 2581 636 TIP3 H1 -16.54843 -15.47402 -2.55793 SOLV 683 -2.55793 2582 636 TIP3 H2 -18.08430 -15.46722 -2.45368 SOLV 683 -2.45368 2583 637 TIP3 OH2 -9.61430 -11.63218 -8.37383 SOLV 684 -8.37383 2584 637 TIP3 H1 -10.21620 -12.02412 -7.74716 SOLV 684 -7.74716 2585 637 TIP3 H2 -8.83361 -11.44941 -7.81180 SOLV 684 -7.81180 2586 638 TIP3 OH2 -11.53113 -10.57194 -0.87268 SOLV 685 -0.87268 2587 638 TIP3 H1 -11.31641 -9.62928 -1.20096 SOLV 685 -1.20096 2588 638 TIP3 H2 -12.22184 -10.22603 -0.17425 SOLV 685 -0.17425 2589 639 TIP3 OH2 -21.57015 -16.30365 2.52320 SOLV 686 2.52320 2590 639 TIP3 H1 -21.42494 -16.67193 3.40388 SOLV 686 3.40388 2591 639 TIP3 H2 -20.95356 -15.60797 2.58371 SOLV 686 2.58371 2592 640 TIP3 OH2 -18.05404 -13.91271 6.32450 SOLV 687 6.32450 2593 640 TIP3 H1 -19.06379 -13.79861 6.34152 SOLV 687 6.34152 2594 640 TIP3 H2 -17.69851 -14.22978 7.17829 SOLV 687 7.17829 2595 641 TIP3 OH2 -16.36285 -14.26915 1.44207 SOLV 688 1.44207 2596 641 TIP3 H1 -15.41898 -14.34778 1.36476 SOLV 688 1.36476 2597 641 TIP3 H2 -16.46860 -15.22610 1.50260 SOLV 688 1.50260 2598 642 TIP3 OH2 -13.89371 -15.22349 -5.44878 SOLV 689 -5.44878 2599 642 TIP3 H1 -14.73593 -15.50956 -5.71163 SOLV 689 -5.71163 2600 642 TIP3 H2 -13.36517 -15.73981 -6.03100 SOLV 689 -6.03100 2601 643 TIP3 OH2 -19.08225 -10.37313 7.32292 SOLV 690 7.32292 2602 643 TIP3 H1 -18.88717 -10.06400 8.19473 SOLV 690 8.19473 2603 643 TIP3 H2 -18.60692 -9.77252 6.74633 SOLV 690 6.74633 2604 644 TIP3 OH2 -24.91502 -15.11783 2.54506 SOLV 691 2.54506 2605 644 TIP3 H1 -25.13287 -14.61153 1.75897 SOLV 691 1.75897 2606 644 TIP3 H2 -24.55935 -15.89948 2.18926 SOLV 691 2.18926 2607 645 TIP3 OH2 -26.91415 -15.33370 -4.23051 SOLV 692 -4.23051 2608 645 TIP3 H1 -26.20691 -15.99335 -3.85005 SOLV 692 -3.85005 2609 645 TIP3 H2 -27.64341 -15.96689 -4.26617 SOLV 692 -4.26617 2610 646 TIP3 OH2 -15.83286 -16.36380 6.15314 SOLV 693 6.15314 2611 646 TIP3 H1 -15.95007 -17.02542 5.50926 SOLV 693 5.50926 2612 646 TIP3 H2 -15.67290 -15.57946 5.68860 SOLV 693 5.68860 2613 647 TIP3 OH2 -23.18960 -17.52074 -6.24968 SOLV 694 -6.24968 2614 647 TIP3 H1 -23.08381 -17.35646 -5.32859 SOLV 694 -5.32859 2615 647 TIP3 H2 -23.15570 -16.63882 -6.67686 SOLV 694 -6.67686 2616 648 TIP3 OH2 -18.87757 -14.67031 -5.30958 SOLV 695 -5.30958 2617 648 TIP3 H1 -17.97137 -14.59578 -5.74705 SOLV 695 -5.74705 2618 648 TIP3 H2 -18.56486 -14.77088 -4.38180 SOLV 695 -4.38180 2619 649 TIP3 OH2 -25.94821 -12.90605 0.83402 SOLV 696 0.83402 2620 649 TIP3 H1 -26.22835 -13.53068 0.06904 SOLV 696 0.06904 2621 649 TIP3 H2 -26.64971 -12.26578 0.72093 SOLV 696 0.72093 2622 650 TIP3 OH2 -25.02237 -17.30621 -3.69601 SOLV 697 -3.69601 2623 650 TIP3 H1 -24.05893 -17.15930 -3.49587 SOLV 697 -3.49587 2624 650 TIP3 H2 -25.05861 -18.13051 -4.26129 SOLV 697 -4.26129 2625 651 TIP3 OH2 -12.18524 -17.04120 3.37587 SOLV 698 3.37587 2626 651 TIP3 H1 -12.30082 -16.10047 3.28987 SOLV 698 3.28987 2627 651 TIP3 H2 -11.18180 -17.09513 3.42009 SOLV 698 3.42009 2628 652 TIP3 OH2 -12.96807 -17.35369 6.75494 SOLV 699 6.75494 2629 652 TIP3 H1 -13.90955 -17.37965 6.69294 SOLV 699 6.69294 2630 652 TIP3 H2 -12.83191 -16.34927 6.82301 SOLV 699 6.82301 2631 653 TIP3 OH2 -18.01121 -9.67229 -6.74649 SOLV 700 -6.74649 2632 653 TIP3 H1 -18.51197 -10.38040 -6.32128 SOLV 700 -6.32128 2633 653 TIP3 H2 -17.13928 -10.15783 -6.84168 SOLV 700 -6.84168 2634 654 TIP3 OH2 -12.96653 -17.01193 -3.50533 SOLV 701 -3.50533 2635 654 TIP3 H1 -12.93742 -16.88726 -2.52225 SOLV 701 -2.52225 2636 654 TIP3 H2 -13.23554 -16.09539 -3.83164 SOLV 701 -3.83164 2637 655 TIP3 OH2 -16.07557 -14.50026 8.34263 SOLV 702 8.34263 2638 655 TIP3 H1 -15.28343 -14.07014 8.17731 SOLV 702 8.17731 2639 655 TIP3 H2 -15.82194 -15.33421 7.84225 SOLV 702 7.84225 2640 656 TIP3 OH2 -17.36058 -17.00447 1.08560 SOLV 703 1.08560 2641 656 TIP3 H1 -17.84198 -16.62822 0.34372 SOLV 703 0.34372 2642 656 TIP3 H2 -17.14721 -17.88788 0.77312 SOLV 703 0.77312 2643 657 TIP3 OH2 -22.57759 -12.12722 3.66401 SOLV 704 3.66401 2644 657 TIP3 H1 -22.21353 -11.53697 4.36348 SOLV 704 4.36348 2645 657 TIP3 H2 -22.04906 -11.92328 2.82279 SOLV 704 2.82279 2646 658 TIP3 OH2 -19.40492 -13.89437 1.88050 SOLV 705 1.88050 2647 658 TIP3 H1 -19.29948 -14.35917 2.74910 SOLV 705 2.74910 2648 658 TIP3 H2 -18.48461 -13.81882 1.66375 SOLV 705 1.66375 2649 659 TIP3 OH2 -13.67996 -14.28516 -2.18215 SOLV 706 -2.18215 2650 659 TIP3 H1 -13.94720 -15.21816 -1.87066 SOLV 706 -1.87066 2651 659 TIP3 H2 -12.83021 -14.30929 -1.80082 SOLV 706 -1.80082 2652 660 TIP3 OH2 -15.77934 -10.90859 -6.27687 SOLV 707 -6.27687 2653 660 TIP3 H1 -15.31928 -11.37437 -5.54147 SOLV 707 -5.54147 2654 660 TIP3 H2 -15.07100 -10.90657 -6.91972 SOLV 707 -6.91972 2655 661 TIP3 OH2 -14.45105 -12.16581 -4.23920 SOLV 708 -4.23920 2656 661 TIP3 H1 -14.41105 -12.90873 -3.68804 SOLV 708 -3.68804 2657 661 TIP3 H2 -14.09426 -11.52731 -3.60600 SOLV 708 -3.60600 2658 662 TIP3 OH2 -13.64184 -11.42705 -7.90960 SOLV 709 -7.90960 2659 662 TIP3 H1 -13.01423 -10.84874 -8.41417 SOLV 709 -8.41417 2660 662 TIP3 H2 -12.97557 -12.02380 -7.44200 SOLV 709 -7.44200 2661 663 TIP3 OH2 -9.09815 -10.88722 0.39072 SOLV 710 0.39072 2662 663 TIP3 H1 -10.04926 -10.86089 0.18225 SOLV 710 0.18225 2663 663 TIP3 H2 -8.81972 -9.90559 0.39527 SOLV 710 0.39527 2664 664 TIP3 OH2 -21.58668 -10.64329 5.64842 SOLV 711 5.64842 2665 664 TIP3 H1 -20.76176 -10.88208 6.19391 SOLV 711 6.19391 2666 664 TIP3 H2 -21.79290 -9.69134 5.78693 SOLV 711 5.78693 2667 665 TIP3 OH2 -14.34830 -11.51223 -1.42184 SOLV 712 -1.42184 2668 665 TIP3 H1 -13.63113 -12.15157 -1.48308 SOLV 712 -1.48308 2669 665 TIP3 H2 -13.92121 -10.80507 -0.95192 SOLV 712 -0.95192 2670 666 TIP3 OH2 -20.81695 -13.97319 6.56918 SOLV 713 6.56918 2671 666 TIP3 H1 -21.36594 -13.53372 5.85111 SOLV 713 5.85111 2672 666 TIP3 H2 -21.48683 -14.02565 7.26854 SOLV 713 7.26854 2673 667 TIP3 OH2 -24.67484 -10.90897 2.33715 SOLV 714 2.33715 2674 667 TIP3 H1 -25.15114 -11.76909 2.08910 SOLV 714 2.08910 2675 667 TIP3 H2 -24.17328 -11.29501 3.13938 SOLV 714 3.13938 2676 668 TIP3 OH2 -24.00997 -13.37295 -2.66910 SOLV 715 -2.66910 2677 668 TIP3 H1 -24.10858 -13.13822 -3.62561 SOLV 715 -3.62561 2678 668 TIP3 H2 -23.39530 -12.66758 -2.45682 SOLV 715 -2.45682 2679 669 TIP3 OH2 -12.30061 -13.39064 -6.87501 SOLV 716 -6.87501 2680 669 TIP3 H1 -13.12701 -13.57497 -6.39657 SOLV 716 -6.39657 2681 669 TIP3 H2 -11.59462 -13.57615 -6.20932 SOLV 716 -6.20932 2682 670 TIP3 OH2 -16.20014 -13.76230 -5.92977 SOLV 717 -5.92977 2683 670 TIP3 H1 -15.67829 -13.61943 -5.08523 SOLV 717 -5.08523 2684 670 TIP3 H2 -16.34831 -12.83942 -6.21844 SOLV 717 -6.21844 2685 671 TIP3 OH2 -22.73136 -14.69753 4.38171 SOLV 718 4.38171 2686 671 TIP3 H1 -22.58552 -13.77065 4.11386 SOLV 718 4.11386 2687 671 TIP3 H2 -23.00194 -15.05180 3.54265 SOLV 718 3.54265 2688 672 TIP3 OH2 -23.90048 -10.94873 6.92255 SOLV 719 6.92255 2689 672 TIP3 H1 -24.14878 -11.90121 7.04381 SOLV 719 7.04381 2690 672 TIP3 H2 -23.14445 -11.02254 6.27021 SOLV 719 6.27021 2691 673 TIP3 OH2 -12.62492 -14.58855 7.28642 SOLV 720 7.28642 2692 673 TIP3 H1 -13.28186 -13.82401 7.34972 SOLV 720 7.34972 2693 673 TIP3 H2 -11.99170 -14.28095 6.61601 SOLV 720 6.61601 2694 674 TIP3 OH2 -9.90923 -9.64990 7.18787 SOLV 721 7.18787 2695 674 TIP3 H1 -9.12953 -10.24462 7.26902 SOLV 721 7.26902 2696 674 TIP3 H2 -10.12534 -9.67802 6.29454 SOLV 721 6.29454 2697 675 TIP3 OH2 -11.33262 -13.41565 0.15282 SOLV 722 0.15282 2698 675 TIP3 H1 -11.00887 -14.24261 -0.18930 SOLV 722 -0.18930 2699 675 TIP3 H2 -10.76668 -12.75703 -0.32596 SOLV 722 -0.32596 2700 676 TIP3 OH2 -24.18906 -14.00143 -6.45209 SOLV 723 -6.45209 2701 676 TIP3 H1 -23.95845 -13.16334 -6.77609 SOLV 723 -6.77609 2702 676 TIP3 H2 -23.29511 -14.20343 -6.09231 SOLV 723 -6.09231 2703 677 TIP3 OH2 -18.03730 -17.78004 4.09476 SOLV 724 4.09476 2704 677 TIP3 H1 -17.15082 -18.27800 4.01435 SOLV 724 4.01435 2705 677 TIP3 H2 -18.07158 -17.39889 3.24815 SOLV 724 3.24815 2706 678 TIP3 OH2 -26.89340 -11.53962 5.92640 SOLV 725 5.92640 2707 678 TIP3 H1 -26.60610 -12.00858 6.69602 SOLV 725 6.69602 2708 678 TIP3 H2 -26.58130 -12.16048 5.28377 SOLV 725 5.28377 2709 679 TIP3 OH2 -26.46851 -13.19234 3.81299 SOLV 726 3.81299 2710 679 TIP3 H1 -25.75205 -13.87968 3.74379 SOLV 726 3.74379 2711 679 TIP3 H2 -26.32170 -12.68855 2.92412 SOLV 726 2.92412 2712 680 TIP3 OH2 -10.10043 -17.35984 -3.96240 SOLV 727 -3.96240 2713 680 TIP3 H1 -10.09167 -17.80390 -3.05488 SOLV 727 -3.05488 2714 680 TIP3 H2 -9.30272 -17.77982 -4.23174 SOLV 727 -4.23174 2715 681 TIP3 OH2 -21.11550 -11.94024 9.40821 SOLV 728 9.40821 2716 681 TIP3 H1 -20.41029 -12.03053 8.74808 SOLV 728 8.74808 2717 681 TIP3 H2 -20.64485 -11.27628 9.95425 SOLV 728 9.95425 2718 682 TIP3 OH2 -21.52698 -15.19466 -2.21263 SOLV 729 -2.21263 2719 682 TIP3 H1 -21.49773 -14.66020 -3.08139 SOLV 729 -3.08139 2720 682 TIP3 H2 -21.87417 -14.52570 -1.67125 SOLV 729 -1.67125 2721 683 TIP3 OH2 -10.25940 -16.42954 5.94168 SOLV 730 5.94168 2722 683 TIP3 H1 -9.92906 -16.32834 6.81368 SOLV 730 6.81368 2723 683 TIP3 H2 -11.05468 -16.91566 6.01250 SOLV 730 6.01250 2724 684 TIP3 OH2 -13.55630 -14.60168 1.49631 SOLV 731 1.49631 2725 684 TIP3 H1 -13.19703 -14.45370 2.42042 SOLV 731 2.42042 2726 684 TIP3 H2 -12.85386 -13.96455 1.10561 SOLV 731 1.10561 2727 685 TIP3 OH2 -15.64188 -17.12351 -6.78555 SOLV 732 -6.78555 2728 685 TIP3 H1 -15.18162 -17.14825 -7.58297 SOLV 732 -7.58297 2729 685 TIP3 H2 -16.53923 -16.79250 -7.06675 SOLV 732 -7.06675 2730 686 TIP3 OH2 -17.40668 -9.54047 5.24557 SOLV 733 5.24557 2731 686 TIP3 H1 -17.06144 -10.42371 5.51270 SOLV 733 5.51270 2732 686 TIP3 H2 -17.11759 -9.47125 4.29199 SOLV 733 4.29199 2733 687 TIP3 OH2 -27.72129 -9.67415 4.27976 SOLV 735 4.27976 2734 687 TIP3 H1 -27.25188 -10.36121 4.78178 SOLV 735 4.78178 2735 687 TIP3 H2 -27.04729 -9.42513 3.60723 SOLV 735 3.60723 2736 688 TIP3 OH2 -15.48903 -9.81308 8.07923 SOLV 736 8.07923 2737 688 TIP3 H1 -16.38378 -9.46830 8.33392 SOLV 736 8.33392 2738 688 TIP3 H2 -14.89754 -9.65961 8.83609 SOLV 736 8.83609 2739 689 TIP3 OH2 -25.20321 -10.02763 -2.70135 SOLV 737 -2.70135 2740 689 TIP3 H1 -24.96261 -9.17063 -3.03397 SOLV 737 -3.03397 2741 689 TIP3 H2 -26.16517 -10.17571 -3.00582 SOLV 737 -3.00582 2742 690 TIP3 OH2 -17.11915 -12.04849 -0.58614 SOLV 738 -0.58614 2743 690 TIP3 H1 -17.01723 -12.76193 0.03004 SOLV 738 0.03004 2744 690 TIP3 H2 -16.24388 -12.12150 -1.03235 SOLV 738 -1.03235 2745 691 TIP3 OH2 -20.87416 -16.64524 6.13406 SOLV 739 6.13406 2746 691 TIP3 H1 -20.81756 -15.68196 5.88380 SOLV 739 5.88380 2747 691 TIP3 H2 -20.98530 -16.50082 7.09817 SOLV 739 7.09817 2748 692 TIP3 OH2 -9.83917 -16.63134 -7.33486 SOLV 740 -7.33486 2749 692 TIP3 H1 -8.91772 -16.65330 -6.92753 SOLV 740 -6.92753 2750 692 TIP3 H2 -9.63401 -15.98288 -8.02441 SOLV 740 -8.02441 2751 693 TIP3 OH2 -12.84981 -14.09907 4.06850 SOLV 741 4.06850 2752 693 TIP3 H1 -12.05179 -13.73060 4.58014 SOLV 741 4.58014 2753 693 TIP3 H2 -13.57942 -13.91376 4.65757 SOLV 741 4.65757 2754 694 TIP3 OH2 -24.47419 -16.01296 8.24588 SOLV 742 8.24588 2755 694 TIP3 H1 -24.12183 -16.69342 7.64783 SOLV 742 7.64783 2756 694 TIP3 H2 -23.68686 -15.47896 8.52310 SOLV 742 8.52310 2757 695 TIP3 OH2 -27.23235 -17.34876 8.26845 SOLV 743 8.26845 2758 695 TIP3 H1 -26.58702 -17.82464 7.69475 SOLV 743 7.69475 2759 695 TIP3 H2 -26.68068 -16.60449 8.53963 SOLV 743 8.53963 2760 696 TIP3 OH2 -22.13819 -14.47762 8.97861 SOLV 744 8.97861 2761 696 TIP3 H1 -22.07198 -13.55299 9.29040 SOLV 744 9.29040 2762 696 TIP3 H2 -21.49589 -14.95546 9.57477 SOLV 744 9.57477 2763 697 TIP3 OH2 -10.60698 -15.36822 -1.82466 SOLV 745 -1.82466 2764 697 TIP3 H1 -10.70917 -15.52096 -2.79318 SOLV 745 -2.79318 2765 697 TIP3 H2 -10.09830 -16.17430 -1.66884 SOLV 745 -1.66884 2766 698 TIP3 OH2 -21.65980 -11.53866 -1.77887 SOLV 746 -1.77887 2767 698 TIP3 H1 -22.39998 -10.91457 -1.71798 SOLV 746 -1.71798 2768 698 TIP3 H2 -21.25142 -11.49184 -0.90957 SOLV 746 -0.90957 2769 699 TIP3 OH2 -9.94732 -12.47207 -2.36766 SOLV 747 -2.36766 2770 699 TIP3 H1 -10.61687 -11.93722 -1.91411 SOLV 747 -1.91411 2771 699 TIP3 H2 -9.59684 -11.84791 -3.00085 SOLV 747 -3.00085 2772 700 TIP3 OH2 -22.22516 -17.50403 -3.57377 SOLV 748 -3.57377 2773 700 TIP3 H1 -21.46237 -18.03561 -3.90664 SOLV 748 -3.90664 2774 700 TIP3 H2 -21.74790 -16.70797 -3.11824 SOLV 748 -3.11824 2775 701 TIP3 OH2 -15.48213 -13.80015 5.20044 SOLV 749 5.20044 2776 701 TIP3 H1 -15.39400 -13.13174 4.44785 SOLV 749 4.44785 2777 701 TIP3 H2 -16.39756 -13.70453 5.39967 SOLV 749 5.39967 2778 702 TIP3 OH2 -13.73030 -16.48439 -0.70069 SOLV 750 -0.70069 2779 702 TIP3 H1 -13.59396 -16.10192 0.16449 SOLV 750 0.16449 2780 702 TIP3 H2 -14.05158 -17.38380 -0.37917 SOLV 750 -0.37917 2781 703 TIP3 OH2 -21.05142 -9.26597 -5.06022 SOLV 751 -5.06022 2782 703 TIP3 H1 -20.48448 -10.08528 -4.74641 SOLV 751 -4.74641 2783 703 TIP3 H2 -20.40861 -8.61563 -4.89897 SOLV 751 -4.89897 2784 704 TIP3 OH2 -24.44651 -15.98972 -0.07978 SOLV 752 -0.07978 2785 704 TIP3 H1 -25.04784 -15.69637 -0.73608 SOLV 752 -0.73608 2786 704 TIP3 H2 -23.77199 -15.23196 -0.03946 SOLV 752 -0.03946 2787 705 TIP3 OH2 -23.33775 -17.49916 6.01085 SOLV 753 6.01085 2788 705 TIP3 H1 -22.36424 -17.41058 6.20780 SOLV 753 6.20780 2789 705 TIP3 H2 -23.44648 -16.86978 5.27083 SOLV 753 5.27083 2790 706 TIP3 OH2 -10.29770 -13.70165 -5.00243 SOLV 754 -5.00243 2791 706 TIP3 H1 -9.60837 -14.34281 -5.15511 SOLV 754 -5.15511 2792 706 TIP3 H2 -10.04388 -13.34420 -4.12930 SOLV 754 -4.12930 2793 707 TIP3 OH2 -21.53729 -14.17604 -4.79848 SOLV 755 -4.79848 2794 707 TIP3 H1 -21.52597 -13.27291 -4.46444 SOLV 755 -4.46444 2795 707 TIP3 H2 -20.63971 -14.27812 -5.05708 SOLV 755 -5.05708 2796 708 TIP3 OH2 -16.21733 -11.86402 3.01034 SOLV 756 3.01034 2797 708 TIP3 H1 -15.95449 -10.99955 2.83505 SOLV 756 2.83505 2798 708 TIP3 H2 -16.38273 -12.32981 2.19945 SOLV 756 2.19945 2799 709 TIP3 OH2 -26.27209 -14.46500 -1.35880 SOLV 757 -1.35880 2800 709 TIP3 H1 -27.09345 -14.27871 -1.88420 SOLV 757 -1.88420 2801 709 TIP3 H2 -25.61193 -14.06203 -1.98917 SOLV 757 -1.98917 2802 710 TIP3 OH2 -10.54466 -13.28792 5.18954 SOLV 758 5.18954 2803 710 TIP3 H1 -9.87544 -13.76314 4.64366 SOLV 758 4.64366 2804 710 TIP3 H2 -9.97754 -12.57187 5.51012 SOLV 758 5.51012 2805 711 TIP3 OH2 -19.10973 -15.21798 4.14360 SOLV 759 4.14360 2806 711 TIP3 H1 -18.55219 -14.70730 4.80544 SOLV 759 4.80544 2807 711 TIP3 H2 -18.93617 -16.16116 4.39038 SOLV 759 4.39038 2808 712 TIP3 OH2 -17.45882 3.50756 -7.90671 SOLV 761 -7.90671 2809 712 TIP3 H1 -16.95525 4.02423 -7.23080 SOLV 761 -7.23080 2810 712 TIP3 H2 -16.98282 3.74117 -8.71326 SOLV 761 -8.71326 2811 713 TIP3 OH2 -21.61393 -8.49348 3.41353 SOLV 762 3.41353 2812 713 TIP3 H1 -21.27694 -9.09612 2.74384 SOLV 762 2.74384 2813 713 TIP3 H2 -20.80796 -8.25919 3.89745 SOLV 762 3.89745 2814 714 TIP3 OH2 -14.13143 -2.55199 9.34789 SOLV 763 9.34789 2815 714 TIP3 H1 -13.17018 -2.41810 9.58105 SOLV 763 9.58105 2816 714 TIP3 H2 -14.15987 -1.80659 8.71726 SOLV 763 8.71726 2817 715 TIP3 OH2 -11.67965 8.50603 9.03408 SOLV 764 9.03408 2818 715 TIP3 H1 -11.15798 8.74080 8.27089 SOLV 764 8.27089 2819 715 TIP3 H2 -10.99860 7.86596 9.42276 SOLV 764 9.42276 2820 716 TIP3 OH2 -22.78068 4.92426 0.27475 SOLV 765 0.27475 2821 716 TIP3 H1 -22.14833 5.66076 0.33971 SOLV 765 0.33971 2822 716 TIP3 H2 -23.59741 5.37957 0.29465 SOLV 765 0.29465 2823 717 TIP3 OH2 -9.79795 -6.64807 3.35569 SOLV 766 3.35569 2824 717 TIP3 H1 -9.16124 -7.36922 3.26230 SOLV 766 3.26230 2825 717 TIP3 H2 -9.27341 -5.93323 2.87538 SOLV 766 2.87538 2826 718 TIP3 OH2 -18.74032 -4.30121 -3.88393 SOLV 767 -3.88393 2827 718 TIP3 H1 -19.66120 -4.50185 -4.15570 SOLV 767 -4.15570 2828 718 TIP3 H2 -18.92351 -3.68706 -3.14000 SOLV 767 -3.14000 2829 719 TIP3 OH2 -27.36556 -7.79280 -8.92521 SOLV 768 -8.92521 2830 719 TIP3 H1 -27.33325 -6.81318 -9.19177 SOLV 768 -9.19177 2831 719 TIP3 H2 -27.66997 -8.18651 -9.73966 SOLV 768 -9.73966 2832 720 TIP3 OH2 -11.74693 -8.50443 3.90488 SOLV 769 3.90488 2833 720 TIP3 H1 -11.35380 -7.60364 4.05349 SOLV 769 4.05349 2834 720 TIP3 H2 -10.90766 -9.13563 4.00740 SOLV 769 4.00740 2835 721 TIP3 OH2 -19.19001 -5.51799 8.57174 SOLV 771 8.57174 2836 721 TIP3 H1 -18.60097 -5.88911 9.22300 SOLV 771 9.22300 2837 721 TIP3 H2 -18.70576 -4.71284 8.30477 SOLV 771 8.30477 2838 722 TIP3 OH2 -23.31103 9.12089 -0.62609 SOLV 772 -0.62609 2839 722 TIP3 H1 -23.45583 8.63262 0.20350 SOLV 772 0.20350 2840 722 TIP3 H2 -24.13888 8.90455 -1.07407 SOLV 772 -1.07407 2841 723 TIP3 OH2 -21.15026 0.21020 0.86583 SOLV 773 0.86583 2842 723 TIP3 H1 -21.52390 1.01096 1.27164 SOLV 773 1.27164 2843 723 TIP3 H2 -20.31936 0.14571 1.30810 SOLV 773 1.30810 2844 724 TIP3 OH2 -24.90139 -4.68709 -7.21332 SOLV 774 -7.21332 2845 724 TIP3 H1 -25.42147 -5.50700 -6.91651 SOLV 774 -6.91651 2846 724 TIP3 H2 -25.55165 -4.24063 -7.82872 SOLV 774 -7.82872 2847 725 TIP3 OH2 -23.99242 0.13724 1.68744 SOLV 775 1.68744 2848 725 TIP3 H1 -23.98634 0.90316 1.08381 SOLV 775 1.08381 2849 725 TIP3 H2 -23.11049 -0.17494 1.67706 SOLV 775 1.67706 2850 726 TIP3 OH2 -20.98839 1.63780 -9.71410 SOLV 776 -9.71410 2851 726 TIP3 H1 -20.70410 2.12276 -8.92722 SOLV 776 -8.92722 2852 726 TIP3 H2 -21.41139 0.73382 -9.40723 SOLV 776 -9.40723 2853 727 TIP3 OH2 -10.88974 -8.25423 0.95036 SOLV 777 0.95036 2854 727 TIP3 H1 -11.56753 -7.52762 0.87570 SOLV 777 0.87570 2855 727 TIP3 H2 -11.21158 -8.84790 1.62934 SOLV 777 1.62934 2856 728 TIP3 OH2 -20.91120 -7.39696 7.79666 SOLV 778 7.79666 2857 728 TIP3 H1 -20.38432 -8.22079 7.96888 SOLV 778 7.96888 2858 728 TIP3 H2 -20.24480 -6.73256 8.16664 SOLV 778 8.16664 2859 729 TIP3 OH2 -27.53583 -2.22113 7.97777 SOLV 779 7.97777 2860 729 TIP3 H1 -26.98345 -3.01810 8.09289 SOLV 779 8.09289 2861 729 TIP3 H2 -27.01422 -1.64434 7.45562 SOLV 779 7.45562 2862 730 TIP3 OH2 -18.93698 7.58671 -2.66253 SOLV 780 -2.66253 2863 730 TIP3 H1 -19.80695 7.26448 -2.35555 SOLV 780 -2.35555 2864 730 TIP3 H2 -18.30534 7.29752 -1.93149 SOLV 780 -1.93149 2865 731 TIP3 OH2 -20.04535 2.81827 -7.45380 SOLV 781 -7.45380 2866 731 TIP3 H1 -19.90577 3.22037 -6.55556 SOLV 781 -6.55556 2867 731 TIP3 H2 -19.05856 3.04000 -7.59167 SOLV 781 -7.59167 2868 732 TIP3 OH2 -26.38389 -2.39179 -8.21229 SOLV 782 -8.21229 2869 732 TIP3 H1 -27.25295 -2.01572 -8.37507 SOLV 782 -8.37507 2870 732 TIP3 H2 -25.74868 -1.64399 -7.99940 SOLV 782 -7.99940 2871 733 TIP3 OH2 -20.99999 6.88489 0.99736 SOLV 783 0.99736 2872 733 TIP3 H1 -20.30163 7.64181 1.06871 SOLV 783 1.06871 2873 733 TIP3 H2 -20.49799 6.15816 1.39218 SOLV 783 1.39218 2874 734 TIP3 OH2 -18.53064 0.32007 7.56097 SOLV 784 7.56097 2875 734 TIP3 H1 -18.80508 1.13355 7.92156 SOLV 784 7.92156 2876 734 TIP3 H2 -18.86377 -0.33255 8.22401 SOLV 784 8.22401 2877 735 TIP3 OH2 -26.86466 1.55820 -1.18481 SOLV 785 -1.18481 2878 735 TIP3 H1 -26.82112 2.42946 -1.06369 SOLV 785 -1.06369 2879 735 TIP3 H2 -25.94999 1.31936 -1.34420 SOLV 785 -1.34420 2880 736 TIP3 OH2 -26.07258 2.45391 -6.57559 SOLV 786 -6.57559 2881 736 TIP3 H1 -26.27094 2.68554 -5.65995 SOLV 786 -5.65995 2882 736 TIP3 H2 -25.45730 3.23227 -6.65308 SOLV 786 -6.65308 2883 737 TIP3 OH2 -27.93701 -3.87258 1.91213 SOLV 787 1.91213 2884 737 TIP3 H1 -27.84942 -3.43733 2.76007 SOLV 787 2.76007 2885 737 TIP3 H2 -27.06763 -4.36472 1.88151 SOLV 787 1.88151 2886 738 TIP3 OH2 -16.91312 -2.56676 2.55185 SOLV 788 2.55185 2887 738 TIP3 H1 -15.99227 -2.68801 2.88467 SOLV 788 2.88467 2888 738 TIP3 H2 -17.19826 -3.44040 2.80866 SOLV 788 2.80866 2889 739 TIP3 OH2 -9.38773 7.87379 -4.26716 SOLV 789 -4.26716 2890 739 TIP3 H1 -9.09024 7.52745 -5.13790 SOLV 789 -5.13790 2891 739 TIP3 H2 -10.11903 8.42567 -4.53899 SOLV 789 -4.53899 2892 740 TIP3 OH2 -14.23016 -2.96096 3.13287 SOLV 790 3.13287 2893 740 TIP3 H1 -13.31246 -2.83369 3.56942 SOLV 790 3.56942 2894 740 TIP3 H2 -14.12328 -3.14165 2.14840 SOLV 790 2.14840 2895 741 TIP3 OH2 -16.81910 -1.05409 0.09242 SOLV 791 0.09242 2896 741 TIP3 H1 -16.84706 -1.35506 1.00022 SOLV 791 1.00022 2897 741 TIP3 H2 -15.91576 -0.75965 0.10901 SOLV 791 0.10901 2898 742 TIP3 OH2 -24.58507 5.06386 6.39041 SOLV 792 6.39041 2899 742 TIP3 H1 -24.22165 4.39425 5.84034 SOLV 792 5.84034 2900 742 TIP3 H2 -25.12355 4.59542 7.04034 SOLV 792 7.04034 2901 743 TIP3 OH2 -21.13047 -1.31052 6.62476 SOLV 793 6.62476 2902 743 TIP3 H1 -21.38003 -2.19872 6.73463 SOLV 793 6.73463 2903 743 TIP3 H2 -21.69910 -0.83845 7.27691 SOLV 793 7.27691 2904 744 TIP3 OH2 -25.94008 -7.21211 -2.67828 SOLV 794 -2.67828 2905 744 TIP3 H1 -26.28602 -7.50128 -1.75205 SOLV 794 -1.75205 2906 744 TIP3 H2 -26.77800 -6.97378 -3.11385 SOLV 794 -3.11385 2907 745 TIP3 OH2 -21.19451 -0.51664 -6.63381 SOLV 796 -6.63381 2908 745 TIP3 H1 -21.08697 -0.64163 -5.66312 SOLV 796 -5.66312 2909 745 TIP3 H2 -21.94884 0.03671 -6.75952 SOLV 796 -6.75952 2910 746 TIP3 OH2 -26.13337 7.25424 -6.84457 SOLV 799 -6.84457 2911 746 TIP3 H1 -25.80181 7.93702 -7.38398 SOLV 799 -7.38398 2912 746 TIP3 H2 -25.31475 6.72451 -6.78329 SOLV 799 -6.78329 2913 747 TIP3 OH2 -26.10037 -5.65270 1.69507 SOLV 800 1.69507 2914 747 TIP3 H1 -26.08761 -5.57285 0.72784 SOLV 800 0.72784 2915 747 TIP3 H2 -25.23518 -6.03041 1.91754 SOLV 800 1.91754 2916 748 TIP3 OH2 -11.79613 -5.24611 1.85451 SOLV 801 1.85451 2917 748 TIP3 H1 -11.16015 -4.55521 1.85663 SOLV 801 1.85663 2918 748 TIP3 H2 -11.70321 -5.69356 2.67008 SOLV 801 2.67008 2919 749 TIP3 OH2 -10.97518 3.88463 -9.16371 SOLV 802 -9.16371 2920 749 TIP3 H1 -11.66446 3.92428 -9.82940 SOLV 802 -9.82940 2921 749 TIP3 H2 -11.31771 4.47686 -8.47162 SOLV 802 -8.47162 2922 750 TIP3 OH2 -23.19691 7.27725 -7.22681 SOLV 804 -7.22681 2923 750 TIP3 H1 -23.69753 8.10617 -7.15066 SOLV 804 -7.15066 2924 750 TIP3 H2 -22.48631 7.48130 -7.82766 SOLV 804 -7.82766 2925 751 TIP3 OH2 -15.81383 -9.24789 2.36786 SOLV 805 2.36786 2926 751 TIP3 H1 -16.05694 -8.30474 2.09716 SOLV 805 2.09716 2927 751 TIP3 H2 -15.23398 -9.00147 3.12365 SOLV 805 3.12365 2928 752 TIP3 OH2 -26.88939 -5.21886 8.27698 SOLV 806 8.27698 2929 752 TIP3 H1 -25.96087 -5.03319 8.13469 SOLV 806 8.13469 2930 752 TIP3 H2 -27.26200 -5.31678 7.38819 SOLV 806 7.38819 2931 753 TIP3 OH2 -23.43755 -6.26688 -3.36842 SOLV 808 -3.36842 2932 753 TIP3 H1 -23.39462 -6.89687 -4.07814 SOLV 808 -4.07814 2933 753 TIP3 H2 -24.40561 -6.46810 -3.27368 SOLV 808 -3.27368 2934 754 TIP3 OH2 -18.50684 -1.54519 -9.05665 SOLV 809 -9.05665 2935 754 TIP3 H1 -18.03669 -2.37499 -9.36568 SOLV 809 -9.36568 2936 754 TIP3 H2 -19.35522 -1.90122 -9.04090 SOLV 809 -9.04090 2937 755 TIP3 OH2 -14.66271 -7.42771 7.31190 SOLV 810 7.31190 2938 755 TIP3 H1 -15.38287 -8.05690 7.64958 SOLV 810 7.64958 2939 755 TIP3 H2 -14.70678 -7.62497 6.38537 SOLV 810 6.38537 2940 756 TIP3 OH2 -19.96892 -4.31081 4.68983 SOLV 812 4.68983 2941 756 TIP3 H1 -20.83436 -4.40009 4.17236 SOLV 812 4.17236 2942 756 TIP3 H2 -19.61480 -5.25296 4.59347 SOLV 812 4.59347 2943 757 TIP3 OH2 -13.89011 0.83879 9.51642 SOLV 813 9.51642 2944 757 TIP3 H1 -13.39676 1.02598 8.60083 SOLV 813 8.60083 2945 757 TIP3 H2 -14.76571 0.46955 9.16836 SOLV 813 9.16836 2946 758 TIP3 OH2 -19.35295 7.02329 -5.33629 SOLV 814 -5.33629 2947 758 TIP3 H1 -19.14235 6.10029 -5.51669 SOLV 814 -5.51669 2948 758 TIP3 H2 -18.86581 7.23038 -4.54278 SOLV 814 -4.54278 2949 759 TIP3 OH2 -18.79415 -4.37304 -6.79403 SOLV 815 -6.79403 2950 759 TIP3 H1 -19.15071 -5.26518 -6.57339 SOLV 815 -6.57339 2951 759 TIP3 H2 -19.42066 -4.14789 -7.49560 SOLV 815 -7.49560 2952 760 TIP3 OH2 -14.90948 -8.68305 -4.97909 SOLV 816 -4.97909 2953 760 TIP3 H1 -15.46715 -9.28464 -5.49601 SOLV 816 -5.49601 2954 760 TIP3 H2 -15.38865 -8.76689 -4.12530 SOLV 816 -4.12530 2955 761 TIP3 OH2 -10.96251 -8.14999 -2.38996 SOLV 817 -2.38996 2956 761 TIP3 H1 -10.24895 -7.63414 -2.66199 SOLV 817 -2.66199 2957 761 TIP3 H2 -11.23595 -8.55328 -3.23953 SOLV 817 -3.23953 2958 762 TIP3 OH2 -11.49001 -9.18490 -5.17726 SOLV 818 -5.17726 2959 762 TIP3 H1 -11.50758 -8.43252 -5.85762 SOLV 818 -5.85762 2960 762 TIP3 H2 -12.37614 -9.00195 -4.87719 SOLV 818 -4.87719 2961 763 TIP3 OH2 -27.71130 2.32200 3.34809 SOLV 819 3.34809 2962 763 TIP3 H1 -28.08717 2.22035 4.22832 SOLV 819 4.22832 2963 763 TIP3 H2 -27.36623 3.24351 3.30419 SOLV 819 3.30419 2964 764 TIP3 OH2 -13.24206 -1.89986 6.01193 SOLV 821 6.01193 2965 764 TIP3 H1 -12.99863 -1.09066 6.50377 SOLV 821 6.50377 2966 764 TIP3 H2 -14.18281 -1.81433 6.05908 SOLV 821 6.05908 2967 765 TIP3 OH2 -21.95656 -7.08919 -0.91240 SOLV 822 -0.91240 2968 765 TIP3 H1 -22.52467 -7.88711 -0.86507 SOLV 822 -0.86507 2969 765 TIP3 H2 -22.02142 -6.89297 -1.86117 SOLV 822 -1.86117 2970 766 TIP3 OH2 -23.72878 -7.00480 1.99151 SOLV 823 1.99151 2971 766 TIP3 H1 -22.93926 -7.51256 2.39199 SOLV 823 2.39199 2972 766 TIP3 H2 -23.20203 -6.54407 1.36547 SOLV 823 1.36547 2973 767 TIP3 OH2 -14.02246 6.20976 7.91502 SOLV 824 7.91502 2974 767 TIP3 H1 -14.63585 6.83697 7.52957 SOLV 824 7.52957 2975 767 TIP3 H2 -14.03875 6.61528 8.81665 SOLV 824 8.81665 2976 768 TIP3 OH2 -24.32038 -8.28679 7.87215 SOLV 825 7.87215 2977 768 TIP3 H1 -24.35699 -7.67939 7.14547 SOLV 825 7.14547 2978 768 TIP3 H2 -24.28399 -9.09672 7.38089 SOLV 825 7.38089 2979 769 TIP3 OH2 -11.50476 -1.84581 3.71185 SOLV 827 3.71185 2980 769 TIP3 H1 -11.92873 -1.33174 4.41528 SOLV 827 4.41528 2981 769 TIP3 H2 -10.57455 -1.81034 4.08596 SOLV 827 4.08596 2982 770 TIP3 OH2 -12.08844 -4.79879 7.95186 SOLV 828 7.95186 2983 770 TIP3 H1 -11.51357 -5.28217 8.51006 SOLV 828 8.51006 2984 770 TIP3 H2 -11.95859 -3.87711 8.30046 SOLV 828 8.30046 2985 771 TIP3 OH2 -23.61144 -0.85068 8.66518 SOLV 829 8.66518 2986 771 TIP3 H1 -24.27812 -0.51948 9.30855 SOLV 829 9.30855 2987 771 TIP3 H2 -23.67071 -1.76735 8.76676 SOLV 829 8.76676 2988 772 TIP3 OH2 -9.61430 7.02129 -8.37383 SOLV 830 -8.37383 2989 772 TIP3 H1 -10.21620 6.62935 -7.74716 SOLV 830 -7.74716 2990 772 TIP3 H2 -8.83361 7.20406 -7.81180 SOLV 830 -7.81180 2991 773 TIP3 OH2 -11.53113 8.08153 -0.87268 SOLV 831 -0.87268 2992 773 TIP3 H1 -11.31641 9.02419 -1.20096 SOLV 831 -1.20096 2993 773 TIP3 H2 -12.22184 8.42744 -0.17425 SOLV 831 -0.17425 2994 774 TIP3 OH2 -21.57015 2.34982 2.52320 SOLV 832 2.52320 2995 774 TIP3 H1 -21.42494 1.98154 3.40388 SOLV 832 3.40388 2996 774 TIP3 H2 -20.95356 3.04550 2.58371 SOLV 832 2.58371 2997 775 TIP3 OH2 -10.06995 -3.42228 -1.83882 SOLV 833 -1.83882 2998 775 TIP3 H1 -10.03710 -2.80573 -1.09225 SOLV 833 -1.09225 2999 775 TIP3 H2 -9.20007 -3.72879 -1.90677 SOLV 833 -1.90677 3000 776 TIP3 OH2 -17.19637 -6.33433 -8.45226 SOLV 834 -8.45226 3001 776 TIP3 H1 -17.54043 -5.99146 -7.57083 SOLV 834 -7.57083 3002 776 TIP3 H2 -16.23394 -6.28868 -8.14402 SOLV 834 -8.14402 3003 777 TIP3 OH2 -18.05404 4.74076 6.32450 SOLV 835 6.32450 3004 777 TIP3 H1 -19.06379 4.85486 6.34152 SOLV 835 6.34152 3005 777 TIP3 H2 -17.69851 4.42369 7.17829 SOLV 835 7.17829 3006 778 TIP3 OH2 -16.36285 4.38432 1.44207 SOLV 836 1.44207 3007 778 TIP3 H1 -15.41898 4.30569 1.36476 SOLV 836 1.36476 3008 778 TIP3 H2 -16.46860 3.42737 1.50260 SOLV 836 1.50260 3009 779 TIP3 OH2 -13.66587 -9.39439 0.18750 SOLV 837 0.18750 3010 779 TIP3 H1 -13.84456 -8.39814 0.17378 SOLV 837 0.17378 3011 779 TIP3 H2 -14.17285 -9.54246 0.95805 SOLV 837 0.95805 3012 780 TIP3 OH2 -13.89371 3.42998 -5.44878 SOLV 838 -5.44878 3013 780 TIP3 H1 -14.73593 3.14391 -5.71163 SOLV 838 -5.71163 3014 780 TIP3 H2 -13.36517 2.91366 -6.03100 SOLV 838 -6.03100 3015 781 TIP3 OH2 -17.27328 -3.48124 8.35065 SOLV 839 8.35065 3016 781 TIP3 H1 -16.49025 -4.07192 8.44120 SOLV 839 8.44120 3017 781 TIP3 H2 -17.11125 -3.27995 7.41017 SOLV 839 7.41017 3018 782 TIP3 OH2 -9.40107 -5.19317 5.79789 SOLV 840 5.79789 3019 782 TIP3 H1 -9.14763 -5.87255 5.20020 SOLV 840 5.20020 3020 782 TIP3 H2 -10.36523 -4.99724 5.45375 SOLV 840 5.45375 3021 783 TIP3 OH2 -19.08225 8.28034 7.32292 SOLV 841 7.32292 3022 783 TIP3 H1 -18.88717 8.58947 8.19473 SOLV 841 8.19473 3023 783 TIP3 H2 -18.60692 8.88095 6.74633 SOLV 841 6.74633 3024 784 TIP3 OH2 -24.91502 3.53564 2.54506 SOLV 842 2.54506 3025 784 TIP3 H1 -25.13287 4.04194 1.75897 SOLV 842 1.75897 3026 784 TIP3 H2 -24.55935 2.75399 2.18926 SOLV 842 2.18926 3027 785 TIP3 OH2 -18.96255 -8.48098 -3.15131 SOLV 845 -3.15131 3028 785 TIP3 H1 -19.18862 -9.43046 -2.90255 SOLV 845 -2.90255 3029 785 TIP3 H2 -18.02785 -8.46468 -2.85402 SOLV 845 -2.85402 3030 786 TIP3 OH2 -26.91415 3.31977 -4.23051 SOLV 846 -4.23051 3031 786 TIP3 H1 -26.20691 2.66012 -3.85005 SOLV 846 -3.85005 3032 786 TIP3 H2 -27.64341 2.68658 -4.26617 SOLV 846 -4.26617 3033 787 TIP3 OH2 -10.37461 -1.08341 -5.78339 SOLV 847 -5.78339 3034 787 TIP3 H1 -10.13548 -0.98224 -6.66676 SOLV 847 -6.66676 3035 787 TIP3 H2 -9.55054 -1.37239 -5.35816 SOLV 847 -5.35816 3036 788 TIP3 OH2 -15.83286 2.28967 6.15314 SOLV 848 6.15314 3037 788 TIP3 H1 -15.95007 1.62805 5.50926 SOLV 848 5.50926 3038 788 TIP3 H2 -15.67290 3.07401 5.68860 SOLV 848 5.68860 3039 789 TIP3 OH2 -19.77133 -2.84170 -1.85043 SOLV 849 -1.85043 3040 789 TIP3 H1 -19.34272 -3.38538 -1.11573 SOLV 849 -1.11573 3041 789 TIP3 H2 -19.25267 -2.00524 -1.82169 SOLV 849 -1.82169 3042 790 TIP3 OH2 -23.18960 1.13273 -6.24968 SOLV 850 -6.24968 3043 790 TIP3 H1 -23.08381 1.29701 -5.32859 SOLV 850 -5.32859 3044 790 TIP3 H2 -23.15570 2.01465 -6.67686 SOLV 850 -6.67686 3045 791 TIP3 OH2 -11.00625 -6.61838 -6.55872 SOLV 851 -6.55872 3046 791 TIP3 H1 -10.70031 -7.09588 -7.40708 SOLV 851 -7.40708 3047 791 TIP3 H2 -11.15183 -5.80549 -7.02448 SOLV 851 -7.02448 3048 792 TIP3 OH2 -18.87757 3.98316 -5.30958 SOLV 852 -5.30958 3049 792 TIP3 H1 -17.97137 4.05769 -5.74705 SOLV 852 -5.74705 3050 792 TIP3 H2 -18.56486 3.88259 -4.38180 SOLV 852 -4.38180 3051 793 TIP3 OH2 -25.94821 5.74742 0.83402 SOLV 853 0.83402 3052 793 TIP3 H1 -26.22835 5.12279 0.06904 SOLV 853 0.06904 3053 793 TIP3 H2 -26.64971 6.38769 0.72093 SOLV 853 0.72093 3054 794 TIP3 OH2 -21.05583 -0.28694 3.87727 SOLV 854 3.87727 3055 794 TIP3 H1 -20.52327 -0.98513 3.31563 SOLV 854 3.31563 3056 794 TIP3 H2 -21.85018 -0.75427 4.03349 SOLV 854 4.03349 3057 795 TIP3 OH2 -25.02237 1.34726 -3.69601 SOLV 855 -3.69601 3058 795 TIP3 H1 -24.05893 1.49417 -3.49587 SOLV 855 -3.49587 3059 795 TIP3 H2 -25.05861 0.52296 -4.26129 SOLV 855 -4.26129 3060 796 TIP3 OH2 -12.96807 1.29978 6.75494 SOLV 857 6.75494 3061 796 TIP3 H1 -13.90955 1.27382 6.69294 SOLV 857 6.69294 3062 796 TIP3 H2 -12.83191 2.30420 6.82301 SOLV 857 6.82301 3063 797 TIP3 OH2 -24.21800 -4.22868 7.82673 SOLV 858 7.82673 3064 797 TIP3 H1 -23.27685 -4.56042 7.77328 SOLV 858 7.77328 3065 797 TIP3 H2 -24.16738 -3.72490 6.99464 SOLV 858 6.99464 3066 798 TIP3 OH2 -17.83433 -8.76855 -9.42202 SOLV 859 -9.42202 3067 798 TIP3 H1 -18.17248 -9.26238 -8.62933 SOLV 859 -8.62933 3068 798 TIP3 H2 -17.88156 -7.89854 -9.06161 SOLV 859 -9.06161 3069 799 TIP3 OH2 -25.12972 -0.07953 -7.79213 SOLV 860 -7.79213 3070 799 TIP3 H1 -25.56926 0.73864 -7.95419 SOLV 860 -7.95419 3071 799 TIP3 H2 -24.33670 0.10046 -7.25150 SOLV 860 -7.25150 3072 800 TIP3 OH2 -25.54548 0.23042 4.20191 SOLV 861 4.20191 3073 800 TIP3 H1 -24.90599 -0.10180 3.55066 SOLV 861 3.55066 3074 800 TIP3 H2 -25.57349 1.21151 4.19665 SOLV 861 4.19665 3075 801 TIP3 OH2 -13.07525 -7.67832 9.54858 SOLV 862 9.54858 3076 801 TIP3 H1 -13.43227 -7.64712 8.63523 SOLV 862 8.63523 3077 801 TIP3 H2 -12.58885 -8.51864 9.55010 SOLV 862 9.55010 3078 802 TIP3 OH2 -15.82834 -3.35846 5.51938 SOLV 863 5.51938 3079 802 TIP3 H1 -15.25273 -3.73273 6.22292 SOLV 863 6.22292 3080 802 TIP3 H2 -15.18565 -3.14510 4.80840 SOLV 863 4.80840 3081 803 TIP3 OH2 -18.01121 8.98118 -6.74649 SOLV 864 -6.74649 3082 803 TIP3 H1 -18.51197 8.27307 -6.32128 SOLV 864 -6.32128 3083 803 TIP3 H2 -17.13928 8.49564 -6.84168 SOLV 864 -6.84168 3084 804 TIP3 OH2 -12.96653 1.64154 -3.50533 SOLV 865 -3.50533 3085 804 TIP3 H1 -12.93742 1.76621 -2.52225 SOLV 865 -2.52225 3086 804 TIP3 H2 -13.23554 2.55808 -3.83164 SOLV 865 -3.83164 3087 805 TIP3 OH2 -25.88700 -3.28732 -5.07511 SOLV 866 -5.07511 3088 805 TIP3 H1 -25.26179 -3.64884 -5.69241 SOLV 866 -5.69241 3089 805 TIP3 H2 -26.52542 -3.86278 -5.18589 SOLV 866 -5.18589 3090 806 TIP3 OH2 -16.25040 0.27335 -4.26603 SOLV 868 -4.26603 3091 806 TIP3 H1 -15.58842 0.14247 -4.89952 SOLV 868 -4.89952 3092 806 TIP3 H2 -16.05168 1.18328 -3.98700 SOLV 868 -3.98700 3093 807 TIP3 OH2 -11.35289 -2.23735 9.02354 SOLV 869 9.02354 3094 807 TIP3 H1 -10.93343 -1.70361 9.63968 SOLV 869 9.63968 3095 807 TIP3 H2 -10.54929 -2.33328 8.47147 SOLV 869 8.47147 3096 808 TIP3 OH2 -23.98392 -2.14756 -3.55422 SOLV 870 -3.55422 3097 808 TIP3 H1 -24.41163 -1.64017 -2.91816 SOLV 870 -2.91816 3098 808 TIP3 H2 -24.59057 -2.91563 -3.84638 SOLV 870 -3.84638 3099 809 TIP3 OH2 -16.07557 4.15321 8.34263 SOLV 871 8.34263 3100 809 TIP3 H1 -15.28343 4.58333 8.17731 SOLV 871 8.17731 3101 809 TIP3 H2 -15.82194 3.31926 7.84225 SOLV 871 7.84225 3102 810 TIP3 OH2 -17.36058 1.64900 1.08560 SOLV 872 1.08560 3103 810 TIP3 H1 -17.84198 2.02525 0.34372 SOLV 872 0.34372 3104 810 TIP3 H2 -17.14721 0.76559 0.77312 SOLV 872 0.77312 3105 811 TIP3 OH2 -20.89783 -2.63915 -8.41119 SOLV 873 -8.41119 3106 811 TIP3 H1 -21.03987 -1.76357 -7.99651 SOLV 873 -7.99651 3107 811 TIP3 H2 -21.31349 -3.24656 -7.76713 SOLV 873 -7.76713 3108 812 TIP3 OH2 -22.57759 6.52625 3.66401 SOLV 874 3.66401 3109 812 TIP3 H1 -22.21353 7.11650 4.36348 SOLV 874 4.36348 3110 812 TIP3 H2 -22.04906 6.73019 2.82279 SOLV 874 2.82279 3111 813 TIP3 OH2 -12.44757 -6.40567 -0.57975 SOLV 875 -0.57975 3112 813 TIP3 H1 -11.84625 -6.83705 -1.20238 SOLV 875 -1.20238 3113 813 TIP3 H2 -11.97107 -5.64371 -0.35564 SOLV 875 -0.35564 3114 814 TIP3 OH2 -14.95395 -4.78268 7.73643 SOLV 877 7.73643 3115 814 TIP3 H1 -14.88560 -5.75574 7.66704 SOLV 877 7.66704 3116 814 TIP3 H2 -13.96709 -4.63404 7.81122 SOLV 877 7.81122 3117 815 TIP3 OH2 -19.40492 4.75910 1.88050 SOLV 878 1.88050 3118 815 TIP3 H1 -19.29948 4.29430 2.74910 SOLV 878 2.74910 3119 815 TIP3 H2 -18.48461 4.83465 1.66375 SOLV 878 1.66375 3120 816 TIP3 OH2 -13.67996 4.36831 -2.18215 SOLV 879 -2.18215 3121 816 TIP3 H1 -13.94720 3.43531 -1.87066 SOLV 879 -1.87066 3122 816 TIP3 H2 -12.83021 4.34418 -1.80082 SOLV 879 -1.80082 3123 817 TIP3 OH2 -22.27965 -4.95848 -6.86148 SOLV 880 -6.86148 3124 817 TIP3 H1 -23.23950 -4.77426 -7.06761 SOLV 880 -7.06761 3125 817 TIP3 H2 -22.14521 -5.81350 -7.36225 SOLV 880 -7.36225 3126 818 TIP3 OH2 -15.77934 7.74488 -6.27687 SOLV 881 -6.27687 3127 818 TIP3 H1 -15.31928 7.27910 -5.54147 SOLV 881 -5.54147 3128 818 TIP3 H2 -15.07100 7.74690 -6.91972 SOLV 881 -6.91972 3129 819 TIP3 OH2 -14.45105 6.48766 -4.23920 SOLV 882 -4.23920 3130 819 TIP3 H1 -14.41105 5.74474 -3.68804 SOLV 882 -3.68804 3131 819 TIP3 H2 -14.09426 7.12616 -3.60600 SOLV 882 -3.60600 3132 820 TIP3 OH2 -13.64184 7.22642 -7.90960 SOLV 883 -7.90960 3133 820 TIP3 H1 -13.01423 7.80473 -8.41417 SOLV 883 -8.41417 3134 820 TIP3 H2 -12.97557 6.62967 -7.44200 SOLV 883 -7.44200 3135 821 TIP3 OH2 -10.55492 0.00206 -1.34707 SOLV 884 -1.34707 3136 821 TIP3 H1 -10.89299 0.33722 -0.47779 SOLV 884 -0.47779 3137 821 TIP3 H2 -9.59961 0.01565 -1.10388 SOLV 884 -1.10388 3138 822 TIP3 OH2 -9.09815 7.76625 0.39072 SOLV 885 0.39072 3139 822 TIP3 H1 -10.04926 7.79258 0.18225 SOLV 885 0.18225 3140 822 TIP3 H2 -8.81972 8.74788 0.39527 SOLV 885 0.39527 3141 823 TIP3 OH2 -21.58668 8.01018 5.64842 SOLV 886 5.64842 3142 823 TIP3 H1 -20.76176 7.77139 6.19391 SOLV 886 6.19391 3143 823 TIP3 H2 -21.79290 8.96213 5.78693 SOLV 886 5.78693 3144 824 TIP3 OH2 -20.81695 4.68028 6.56918 SOLV 888 6.56918 3145 824 TIP3 H1 -21.36594 5.11975 5.85111 SOLV 888 5.85111 3146 824 TIP3 H2 -21.48683 4.62782 7.26854 SOLV 888 7.26854 3147 825 TIP3 OH2 -26.97810 -0.95612 -3.63325 SOLV 889 -3.63325 3148 825 TIP3 H1 -26.65765 -1.81329 -4.07023 SOLV 889 -4.07023 3149 825 TIP3 H2 -26.37731 -0.97639 -2.87059 SOLV 889 -2.87059 3150 826 TIP3 OH2 -22.08682 -0.84835 -1.28253 SOLV 890 -1.28253 3151 826 TIP3 H1 -22.38522 -0.07463 -1.73507 SOLV 890 -1.73507 3152 826 TIP3 H2 -21.86037 -0.52579 -0.39205 SOLV 890 -0.39205 3153 827 TIP3 OH2 -24.67484 7.74450 2.33715 SOLV 891 2.33715 3154 827 TIP3 H1 -25.15114 6.88438 2.08910 SOLV 891 2.08910 3155 827 TIP3 H2 -24.17328 7.35846 3.13938 SOLV 891 3.13938 3156 828 TIP3 OH2 -24.00997 5.28052 -2.66910 SOLV 892 -2.66910 3157 828 TIP3 H1 -24.10858 5.51525 -3.62561 SOLV 892 -3.62561 3158 828 TIP3 H2 -23.39530 5.98589 -2.45682 SOLV 892 -2.45682 3159 829 TIP3 OH2 -12.30061 5.26283 -6.87501 SOLV 893 -6.87501 3160 829 TIP3 H1 -13.12701 5.07850 -6.39657 SOLV 893 -6.39657 3161 829 TIP3 H2 -11.59462 5.07732 -6.20932 SOLV 893 -6.20932 3162 830 TIP3 OH2 -16.20014 4.89117 -5.92977 SOLV 895 -5.92977 3163 830 TIP3 H1 -15.67829 5.03404 -5.08523 SOLV 895 -5.08523 3164 830 TIP3 H2 -16.34831 5.81405 -6.21844 SOLV 895 -6.21844 3165 831 TIP3 OH2 -21.68942 -4.23891 -4.17028 SOLV 896 -4.17028 3166 831 TIP3 H1 -22.44590 -4.76905 -3.93495 SOLV 896 -3.93495 3167 831 TIP3 H2 -21.71071 -4.31856 -5.19134 SOLV 896 -5.19134 3168 832 TIP3 OH2 -22.73136 3.95594 4.38171 SOLV 897 4.38171 3169 832 TIP3 H1 -22.58552 4.88282 4.11386 SOLV 897 4.11386 3170 832 TIP3 H2 -23.00194 3.60167 3.54265 SOLV 897 3.54265 3171 833 TIP3 OH2 -23.90048 7.70474 6.92255 SOLV 898 6.92255 3172 833 TIP3 H1 -24.14878 6.75226 7.04381 SOLV 898 7.04381 3173 833 TIP3 H2 -23.14445 7.63093 6.27021 SOLV 898 6.27021 3174 834 TIP3 OH2 -25.18855 -9.22338 -8.16876 SOLV 899 -8.16876 3175 834 TIP3 H1 -25.89256 -8.57598 -8.47016 SOLV 899 -8.47016 3176 834 TIP3 H2 -24.82909 -9.34760 -9.06458 SOLV 899 -9.06458 3177 835 TIP3 OH2 -12.62492 4.06492 7.28642 SOLV 900 7.28642 3178 835 TIP3 H1 -13.28186 4.82946 7.34972 SOLV 900 7.34972 3179 835 TIP3 H2 -11.99170 4.37252 6.61601 SOLV 900 6.61601 3180 836 TIP3 OH2 -18.32434 -2.15447 5.21960 SOLV 901 5.21960 3181 836 TIP3 H1 -18.98230 -2.84791 5.45588 SOLV 901 5.45588 3182 836 TIP3 H2 -17.62778 -2.62105 4.93201 SOLV 901 4.93201 3183 837 TIP3 OH2 -9.90923 9.00357 7.18787 SOLV 903 7.18787 3184 837 TIP3 H1 -9.12953 8.40885 7.26902 SOLV 903 7.26902 3185 837 TIP3 H2 -10.12534 8.97545 6.29454 SOLV 903 6.29454 3186 838 TIP3 OH2 -11.33262 5.23782 0.15282 SOLV 904 0.15282 3187 838 TIP3 H1 -11.00887 4.41086 -0.18930 SOLV 904 -0.18930 3188 838 TIP3 H2 -10.76668 5.89644 -0.32596 SOLV 904 -0.32596 3189 839 TIP3 OH2 -24.18906 4.65204 -6.45209 SOLV 905 -6.45209 3190 839 TIP3 H1 -23.95845 5.49013 -6.77609 SOLV 905 -6.77609 3191 839 TIP3 H2 -23.29511 4.45004 -6.09231 SOLV 905 -6.09231 3192 840 TIP3 OH2 -18.03730 0.87343 4.09476 SOLV 906 4.09476 3193 840 TIP3 H1 -17.15082 0.37547 4.01435 SOLV 906 4.01435 3194 840 TIP3 H2 -18.07158 1.25458 3.24815 SOLV 906 3.24815 3195 841 TIP3 OH2 -26.94392 -8.05081 -0.24201 SOLV 907 -0.24201 3196 841 TIP3 H1 -26.58672 -8.09924 0.61937 SOLV 907 0.61937 3197 841 TIP3 H2 -27.87153 -8.02817 0.04072 SOLV 907 0.04072 3198 842 TIP3 OH2 -26.89340 7.11385 5.92640 SOLV 908 5.92640 3199 842 TIP3 H1 -26.60610 6.64489 6.69602 SOLV 908 6.69602 3200 842 TIP3 H2 -26.58130 6.49299 5.28377 SOLV 908 5.28377 3201 843 TIP3 OH2 -26.46851 5.46113 3.81299 SOLV 909 3.81299 3202 843 TIP3 H1 -25.75205 4.77379 3.74379 SOLV 909 3.74379 3203 843 TIP3 H2 -26.32170 5.96492 2.92412 SOLV 909 2.92412 3204 844 TIP3 OH2 -21.11550 6.71323 9.40821 SOLV 911 9.40821 3205 844 TIP3 H1 -20.41029 6.62294 8.74808 SOLV 911 8.74808 3206 844 TIP3 H2 -20.64485 7.37719 9.95425 SOLV 911 9.95425 3207 845 TIP3 OH2 -25.40213 -1.01906 -1.35305 SOLV 912 -1.35305 3208 845 TIP3 H1 -26.27751 -1.28856 -1.04078 SOLV 912 -1.04078 3209 845 TIP3 H2 -24.97690 -0.70458 -0.57985 SOLV 912 -0.57985 3210 846 TIP3 OH2 -14.92586 -6.84018 0.87746 SOLV 913 0.87746 3211 846 TIP3 H1 -14.52854 -6.35653 1.62148 SOLV 913 1.62148 3212 846 TIP3 H2 -14.60804 -6.34806 0.12611 SOLV 913 0.12611 3213 847 TIP3 OH2 -21.52698 3.45881 -2.21263 SOLV 914 -2.21263 3214 847 TIP3 H1 -21.49773 3.99327 -3.08139 SOLV 914 -3.08139 3215 847 TIP3 H2 -21.87417 4.12777 -1.67125 SOLV 914 -1.67125 3216 848 TIP3 OH2 -17.98142 -1.77744 -6.00410 SOLV 915 -6.00410 3217 848 TIP3 H1 -18.31231 -1.89933 -6.87826 SOLV 915 -6.87826 3218 848 TIP3 H2 -17.89705 -0.82416 -6.03905 SOLV 915 -6.03905 3219 849 TIP3 OH2 -25.78820 -0.64345 6.76927 SOLV 916 6.76927 3220 849 TIP3 H1 -25.03242 -0.32235 7.31824 SOLV 916 7.31824 3221 849 TIP3 H2 -25.55828 -0.31045 5.84786 SOLV 916 5.84786 3222 850 TIP3 OH2 -10.25940 2.22393 5.94168 SOLV 917 5.94168 3223 850 TIP3 H1 -9.92906 2.32513 6.81368 SOLV 917 6.81368 3224 850 TIP3 H2 -11.05468 1.73781 6.01250 SOLV 917 6.01250 3225 851 TIP3 OH2 -15.64188 1.52996 -6.78555 SOLV 919 -6.78555 3226 851 TIP3 H1 -15.18162 1.50522 -7.58297 SOLV 919 -7.58297 3227 851 TIP3 H2 -16.53923 1.86097 -7.06675 SOLV 919 -7.06675 3228 852 TIP3 OH2 -17.40668 9.11300 5.24557 SOLV 920 5.24557 3229 852 TIP3 H1 -17.06144 8.22976 5.51270 SOLV 920 5.51270 3230 852 TIP3 H2 -17.11759 9.18222 4.29199 SOLV 920 4.29199 3231 853 TIP3 OH2 -17.07972 -6.13772 5.67838 SOLV 922 5.67838 3232 853 TIP3 H1 -16.39323 -6.25228 4.97521 SOLV 922 4.97521 3233 853 TIP3 H2 -16.77251 -5.25715 5.87131 SOLV 922 5.87131 3234 854 TIP3 OH2 -14.34835 -8.82044 4.59754 SOLV 923 4.59754 3235 854 TIP3 H1 -13.41736 -8.74811 4.30762 SOLV 923 4.30762 3236 854 TIP3 H2 -14.31930 -9.45579 5.33684 SOLV 923 5.33684 3237 855 TIP3 OH2 -27.72129 8.97932 4.27976 SOLV 925 4.27976 3238 855 TIP3 H1 -27.25188 8.29226 4.78178 SOLV 925 4.78178 3239 855 TIP3 H2 -27.04729 9.22834 3.60723 SOLV 925 3.60723 3240 856 TIP3 OH2 -15.48903 8.84039 8.07923 SOLV 926 8.07923 3241 856 TIP3 H1 -16.38378 9.18517 8.33392 SOLV 926 8.33392 3242 856 TIP3 H2 -14.89754 8.99386 8.83609 SOLV 926 8.83609 3243 857 TIP3 OH2 -25.20321 8.62584 -2.70135 SOLV 927 -2.70135 3244 857 TIP3 H1 -24.96261 9.48284 -3.03397 SOLV 927 -3.03397 3245 857 TIP3 H2 -26.16517 8.47776 -3.00582 SOLV 927 -3.00582 3246 858 TIP3 OH2 -17.11915 6.60498 -0.58614 SOLV 928 -0.58614 3247 858 TIP3 H1 -17.01723 5.89154 0.03004 SOLV 928 0.03004 3248 858 TIP3 H2 -16.24388 6.53197 -1.03235 SOLV 928 -1.03235 3249 859 TIP3 OH2 -27.78434 -2.32370 4.86424 SOLV 929 4.86424 3250 859 TIP3 H1 -26.95755 -1.89880 5.07590 SOLV 929 5.07590 3251 859 TIP3 H2 -27.74009 -2.98879 5.53421 SOLV 929 5.53421 3252 860 TIP3 OH2 -20.87416 2.00823 6.13406 SOLV 930 6.13406 3253 860 TIP3 H1 -20.81756 2.97151 5.88380 SOLV 930 5.88380 3254 860 TIP3 H2 -20.98530 2.15265 7.09817 SOLV 930 7.09817 3255 861 TIP3 OH2 -14.83337 -6.18485 4.02389 SOLV 932 4.02389 3256 861 TIP3 H1 -14.06130 -5.76469 4.44871 SOLV 932 4.44871 3257 861 TIP3 H2 -14.57830 -7.15684 4.05166 SOLV 932 4.05166 3258 862 TIP3 OH2 -24.47419 2.64051 8.24588 SOLV 935 8.24588 3259 862 TIP3 H1 -24.12183 1.96005 7.64783 SOLV 935 7.64783 3260 862 TIP3 H2 -23.68686 3.17451 8.52310 SOLV 935 8.52310 3261 863 TIP3 OH2 -27.23235 1.30471 8.26845 SOLV 937 8.26845 3262 863 TIP3 H1 -26.58702 0.82883 7.69475 SOLV 937 7.69475 3263 863 TIP3 H2 -26.68068 2.04898 8.53963 SOLV 937 8.53963 3264 864 TIP3 OH2 -22.13819 4.17585 8.97861 SOLV 938 8.97861 3265 864 TIP3 H1 -22.07198 5.10048 9.29040 SOLV 938 9.29040 3266 864 TIP3 H2 -21.49589 3.69801 9.57477 SOLV 938 9.57477 3267 865 TIP3 OH2 -10.60698 3.28525 -1.82466 SOLV 939 -1.82466 3268 865 TIP3 H1 -10.70917 3.13251 -2.79318 SOLV 939 -2.79318 3269 865 TIP3 H2 -10.09830 2.47917 -1.66884 SOLV 939 -1.66884 3270 866 TIP3 OH2 -15.91249 -0.41635 8.04239 SOLV 940 8.04239 3271 866 TIP3 H1 -16.74731 0.04156 7.76435 SOLV 940 7.76435 3272 866 TIP3 H2 -16.24396 -1.17595 8.57871 SOLV 940 8.57871 3273 867 TIP3 OH2 -21.65980 7.11481 -1.77887 SOLV 941 -1.77887 3274 867 TIP3 H1 -22.39998 7.73890 -1.71798 SOLV 941 -1.71798 3275 867 TIP3 H2 -21.25142 7.16163 -0.90957 SOLV 941 -0.90957 3276 868 TIP3 OH2 -9.94732 6.18140 -2.36766 SOLV 942 -2.36766 3277 868 TIP3 H1 -10.61687 6.71625 -1.91411 SOLV 942 -1.91411 3278 868 TIP3 H2 -9.59684 6.80556 -3.00085 SOLV 942 -3.00085 3279 869 TIP3 OH2 -25.91259 -8.59979 2.52399 SOLV 943 2.52399 3280 869 TIP3 H1 -25.12342 -8.06573 2.62742 SOLV 943 2.62742 3281 869 TIP3 H2 -25.46088 -9.47160 2.28887 SOLV 943 2.28887 3282 870 TIP3 OH2 -23.56139 -8.13304 -5.42020 SOLV 945 -5.42020 3283 870 TIP3 H1 -22.85481 -8.75726 -5.18236 SOLV 945 -5.18236 3284 870 TIP3 H2 -23.26761 -7.88429 -6.31160 SOLV 945 -6.31160 3285 871 TIP3 OH2 -22.22516 1.14944 -3.57377 SOLV 948 -3.57377 3286 871 TIP3 H1 -21.46237 0.61786 -3.90664 SOLV 948 -3.90664 3287 871 TIP3 H2 -21.74790 1.94550 -3.11824 SOLV 948 -3.11824 3288 872 TIP3 OH2 -15.48213 4.85332 5.20044 SOLV 949 5.20044 3289 872 TIP3 H1 -15.39400 5.52173 4.44785 SOLV 949 4.44785 3290 872 TIP3 H2 -16.39756 4.94894 5.39967 SOLV 949 5.39967 3291 873 TIP3 OH2 -10.15678 -4.52303 -8.07454 SOLV 950 -8.07454 3292 873 TIP3 H1 -10.15364 -3.59379 -7.93925 SOLV 950 -7.93925 3293 873 TIP3 H2 -9.56138 -4.69441 -8.81530 SOLV 950 -8.81530 3294 874 TIP3 OH2 -13.73030 2.16908 -0.70069 SOLV 951 -0.70069 3295 874 TIP3 H1 -13.59396 2.55155 0.16449 SOLV 951 0.16449 3296 874 TIP3 H2 -14.05158 1.26967 -0.37917 SOLV 951 -0.37917 3297 875 TIP3 OH2 -21.05142 9.38750 -5.06022 SOLV 952 -5.06022 3298 875 TIP3 H1 -20.48448 8.56819 -4.74641 SOLV 952 -4.74641 3299 875 TIP3 H2 -20.40861 10.03784 -4.89897 SOLV 952 -4.89897 3300 876 TIP3 OH2 -18.50079 -6.86432 -5.81098 SOLV 953 -5.81098 3301 876 TIP3 H1 -17.60296 -6.78923 -5.40725 SOLV 953 -5.40725 3302 876 TIP3 H2 -18.74297 -7.82725 -5.84229 SOLV 953 -5.84229 3303 877 TIP3 OH2 -24.44651 2.66375 -0.07978 SOLV 954 -0.07978 3304 877 TIP3 H1 -25.04784 2.95710 -0.73608 SOLV 954 -0.73608 3305 877 TIP3 H2 -23.77199 3.42151 -0.03946 SOLV 954 -0.03946 3306 878 TIP3 OH2 -23.33775 1.15431 6.01085 SOLV 955 6.01085 3307 878 TIP3 H1 -22.36424 1.24289 6.20780 SOLV 955 6.20780 3308 878 TIP3 H2 -23.44648 1.78369 5.27083 SOLV 955 5.27083 3309 879 TIP3 OH2 -26.18403 -4.23411 -1.08113 SOLV 956 -1.08113 3310 879 TIP3 H1 -26.24948 -5.05558 -1.54567 SOLV 956 -1.54567 3311 879 TIP3 H2 -25.23157 -3.98848 -1.19418 SOLV 956 -1.19418 3312 880 TIP3 OH2 -23.35476 -4.20338 -1.63530 SOLV 957 -1.63530 3313 880 TIP3 H1 -22.79852 -4.72657 -0.99814 SOLV 957 -0.99814 3314 880 TIP3 H2 -23.41271 -4.84087 -2.38745 SOLV 957 -2.38745 3315 881 TIP3 OH2 -10.29770 4.95182 -5.00243 SOLV 958 -5.00243 3316 881 TIP3 H1 -9.60837 4.31066 -5.15511 SOLV 958 -5.15511 3317 881 TIP3 H2 -10.04388 5.30927 -4.12930 SOLV 958 -4.12930 3318 882 TIP3 OH2 -21.53729 4.47743 -4.79848 SOLV 959 -4.79848 3319 882 TIP3 H1 -21.52597 5.38056 -4.46444 SOLV 959 -4.46444 3320 882 TIP3 H2 -20.63971 4.37535 -5.05708 SOLV 959 -5.05708 3321 883 TIP3 OH2 -25.88016 -6.94206 -6.12904 SOLV 960 -6.12904 3322 883 TIP3 H1 -26.36599 -7.76062 -6.45894 SOLV 960 -6.45894 3323 883 TIP3 H2 -25.05769 -7.34894 -5.81645 SOLV 960 -5.81645 3324 884 TIP3 OH2 -16.21733 6.78945 3.01034 SOLV 961 3.01034 3325 884 TIP3 H1 -15.95449 7.65392 2.83505 SOLV 961 2.83505 3326 884 TIP3 H2 -16.38273 6.32366 2.19945 SOLV 961 2.19945 3327 885 TIP3 OH2 -27.37308 -0.03108 1.83192 SOLV 962 1.83192 3328 885 TIP3 H1 -26.88069 -0.17760 2.70107 SOLV 962 2.70107 3329 885 TIP3 H2 -27.81318 0.80962 1.96718 SOLV 962 1.96718 3330 886 TIP3 OH2 -27.72029 -1.91295 0.10949 SOLV 963 0.10949 3331 886 TIP3 H1 -27.61458 -2.76439 0.50061 SOLV 963 0.50061 3332 886 TIP3 H2 -27.54048 -1.33258 0.96675 SOLV 963 0.96675 3333 887 TIP3 OH2 -12.77107 -4.73204 5.29077 SOLV 964 5.29077 3334 887 TIP3 H1 -12.66963 -3.74354 5.32102 SOLV 964 5.32102 3335 887 TIP3 H2 -12.51312 -5.02749 6.16455 SOLV 964 6.16455 3336 888 TIP3 OH2 -13.61609 -3.51675 0.56836 SOLV 965 0.56836 3337 888 TIP3 H1 -13.64930 -3.32527 -0.37638 SOLV 965 -0.37638 3338 888 TIP3 H2 -12.80132 -4.02442 0.59099 SOLV 965 0.59099 3339 889 TIP3 OH2 -9.71555 -6.43175 -4.11513 SOLV 966 -4.11513 3340 889 TIP3 H1 -9.68652 -6.79442 -5.07533 SOLV 966 -5.07533 3341 889 TIP3 H2 -10.40556 -5.74293 -4.13853 SOLV 966 -4.13853 3342 890 TIP3 OH2 -26.27209 4.18847 -1.35880 SOLV 967 -1.35880 3343 890 TIP3 H1 -27.09345 4.37476 -1.88420 SOLV 967 -1.88420 3344 890 TIP3 H2 -25.61193 4.59144 -1.98917 SOLV 967 -1.98917 3345 891 TIP3 OH2 -20.42998 -1.03349 -4.08455 SOLV 968 -4.08455 3346 891 TIP3 H1 -19.70853 -0.58146 -3.58595 SOLV 968 -3.58595 3347 891 TIP3 H2 -19.97535 -1.69559 -4.60975 SOLV 968 -4.60975 3348 892 TIP3 OH2 -22.89015 -7.34486 -8.27265 SOLV 970 -8.27265 3349 892 TIP3 H1 -22.73483 -7.20310 -9.21183 SOLV 970 -9.21183 3350 892 TIP3 H2 -23.61515 -7.99626 -8.36018 SOLV 970 -8.36018 3351 893 TIP3 OH2 -19.10973 3.43549 4.14360 SOLV 971 4.14360 3352 893 TIP3 H1 -18.55219 3.94617 4.80544 SOLV 971 4.80544 3353 893 TIP3 H2 -18.93617 2.49231 4.39038 SOLV 971 4.39038 3354 894 TIP3 OH2 -19.57089 -7.34916 5.14648 SOLV 972 5.14648 3355 894 TIP3 H1 -18.67372 -7.25139 5.53006 SOLV 972 5.53006 3356 894 TIP3 H2 -20.02268 -7.18228 5.96770 SOLV 972 5.96770 3357 895 TIP3 OH2 -21.34842 -3.74107 7.82320 SOLV 973 7.82320 3358 895 TIP3 H1 -21.34904 -3.47758 8.79029 SOLV 973 8.79029 3359 895 TIP3 H2 -20.67841 -4.48186 7.70408 SOLV 973 7.70408 3360 896 TIP3 OH2 -20.76834 -9.26682 -7.93210 SOLV 974 -7.93210 3361 896 TIP3 H1 -21.34027 -8.47480 -7.94094 SOLV 974 -7.94094 3362 896 TIP3 H2 -20.69512 -9.53119 -6.94032 SOLV 974 -6.94032 3363 897 TIP3 OH2 -13.73039 -3.32177 -2.03847 SOLV 975 -2.03847 3364 897 TIP3 H1 -13.67217 -4.13924 -2.54169 SOLV 975 -2.54169 3365 897 TIP3 H2 -12.94869 -2.79885 -2.35422 SOLV 975 -2.35422 3366 898 SOD SOD -19.36339 -0.20692 5.58941 SOLV 976 5.58941 3367 899 SOD SOD -21.86485 -2.43307 -2.65820 SOLV 977 -2.65820 3368 900 SOD SOD -17.14115 -3.76721 -5.40347 SOLV 979 -5.40347 3369 901 TIP3 OH2 -16.04718 12.73480 -4.57522 SOLV 980 -4.57522 3370 901 TIP3 H1 -16.52047 12.58336 -3.71645 SOLV 980 -3.71645 3371 901 TIP3 H2 -15.23212 12.24465 -4.33913 SOLV 980 -4.33913 3372 902 TIP3 OH2 -21.61393 10.15999 3.41353 SOLV 981 3.41353 3373 902 TIP3 H1 -21.27694 9.55735 2.74384 SOLV 981 2.74384 3374 902 TIP3 H2 -20.80796 10.39428 3.89745 SOLV 981 3.89745 3375 903 TIP3 OH2 -14.13143 16.10148 9.34789 SOLV 982 9.34789 3376 903 TIP3 H1 -13.17018 16.23537 9.58105 SOLV 982 9.58105 3377 903 TIP3 H2 -14.15987 16.84688 8.71726 SOLV 982 8.71726 3378 904 TIP3 OH2 -9.79795 12.00540 3.35569 SOLV 983 3.35569 3379 904 TIP3 H1 -9.16124 11.28425 3.26230 SOLV 983 3.26230 3380 904 TIP3 H2 -9.27341 12.72024 2.87538 SOLV 983 2.87538 3381 905 TIP3 OH2 -18.74032 14.35226 -3.88393 SOLV 984 -3.88393 3382 905 TIP3 H1 -19.66120 14.15162 -4.15570 SOLV 984 -4.15570 3383 905 TIP3 H2 -18.92351 14.96641 -3.14000 SOLV 984 -3.14000 3384 906 TIP3 OH2 -27.36556 10.86067 -8.92521 SOLV 985 -8.92521 3385 906 TIP3 H1 -27.33325 11.84029 -9.19177 SOLV 985 -9.19177 3386 906 TIP3 H2 -27.66997 10.46696 -9.73966 SOLV 985 -9.73966 3387 907 TIP3 OH2 -11.74693 10.14904 3.90488 SOLV 986 3.90488 3388 907 TIP3 H1 -11.35380 11.04983 4.05349 SOLV 986 4.05349 3389 907 TIP3 H2 -10.90766 9.51784 4.00740 SOLV 986 4.00740 3390 908 TIP3 OH2 -15.37191 15.06371 -7.11992 SOLV 987 -7.11992 3391 908 TIP3 H1 -15.32242 15.68373 -7.86724 SOLV 987 -7.86724 3392 908 TIP3 H2 -14.97423 14.21383 -7.47625 SOLV 987 -7.47625 3393 909 TIP3 OH2 -19.19001 13.13548 8.57174 SOLV 988 8.57174 3394 909 TIP3 H1 -18.60097 12.76436 9.22300 SOLV 988 9.22300 3395 909 TIP3 H2 -18.70576 13.94063 8.30477 SOLV 988 8.30477 3396 910 TIP3 OH2 -24.90139 13.96638 -7.21332 SOLV 989 -7.21332 3397 910 TIP3 H1 -25.42147 13.14647 -6.91651 SOLV 989 -6.91651 3398 910 TIP3 H2 -25.55165 14.41284 -7.82872 SOLV 989 -7.82872 3399 911 TIP3 OH2 -10.88974 10.39924 0.95036 SOLV 990 0.95036 3400 911 TIP3 H1 -11.56753 11.12585 0.87570 SOLV 990 0.87570 3401 911 TIP3 H2 -11.21158 9.80557 1.62934 SOLV 990 1.62934 3402 912 TIP3 OH2 -20.91120 11.25651 7.79666 SOLV 991 7.79666 3403 912 TIP3 H1 -20.38432 10.43268 7.96888 SOLV 991 7.96888 3404 912 TIP3 H2 -20.24480 11.92091 8.16664 SOLV 991 8.16664 3405 913 TIP3 OH2 -27.53583 16.43234 7.97777 SOLV 992 7.97777 3406 913 TIP3 H1 -26.98345 15.63537 8.09289 SOLV 992 8.09289 3407 913 TIP3 H2 -27.01422 17.00913 7.45562 SOLV 992 7.45562 3408 914 TIP3 OH2 -26.38389 16.26168 -8.21229 SOLV 993 -8.21229 3409 914 TIP3 H1 -27.25295 16.63775 -8.37507 SOLV 993 -8.37507 3410 914 TIP3 H2 -25.74868 17.00948 -7.99940 SOLV 993 -7.99940 3411 915 TIP3 OH2 -27.93701 14.78089 1.91213 SOLV 994 1.91213 3412 915 TIP3 H1 -27.84942 15.21614 2.76007 SOLV 994 2.76007 3413 915 TIP3 H2 -27.06763 14.28875 1.88151 SOLV 994 1.88151 3414 916 TIP3 OH2 -16.91312 16.08671 2.55185 SOLV 995 2.55185 3415 916 TIP3 H1 -15.99227 15.96546 2.88467 SOLV 995 2.88467 3416 916 TIP3 H2 -17.19826 15.21307 2.80866 SOLV 995 2.80866 3417 917 TIP3 OH2 -14.23016 15.69251 3.13287 SOLV 996 3.13287 3418 917 TIP3 H1 -13.31246 15.81978 3.56942 SOLV 996 3.56942 3419 917 TIP3 H2 -14.12328 15.51182 2.14840 SOLV 996 2.14840 3420 918 TIP3 OH2 -16.81910 17.59938 0.09242 SOLV 997 0.09242 3421 918 TIP3 H1 -16.84706 17.29841 1.00022 SOLV 997 1.00022 3422 918 TIP3 H2 -15.91576 17.89382 0.10901 SOLV 997 0.10901 3423 919 TIP3 OH2 -21.13047 17.34295 6.62476 SOLV 998 6.62476 3424 919 TIP3 H1 -21.38003 16.45475 6.73463 SOLV 998 6.73463 3425 919 TIP3 H2 -21.69910 17.81502 7.27691 SOLV 998 7.27691 3426 920 TIP3 OH2 -25.94008 11.44136 -2.67828 SOLV 999 -2.67828 3427 920 TIP3 H1 -26.28602 11.15219 -1.75205 SOLV 999 -1.75205 3428 920 TIP3 H2 -26.77800 11.67969 -3.11385 SOLV 999 -3.11385 3429 921 TIP3 OH2 -18.88108 14.51997 0.65367 SOLV 1000 0.65367 3430 921 TIP3 H1 -19.05623 13.86447 -0.03086 SOLV 1000 -0.03086 3431 921 TIP3 H2 -17.97996 14.71472 0.61780 SOLV 1000 0.61780 3432 922 TIP3 OH2 -26.10037 13.00077 1.69507 SOLV 1001 1.69507 3433 922 TIP3 H1 -26.08761 13.08062 0.72784 SOLV 1001 0.72784 3434 922 TIP3 H2 -25.23518 12.62306 1.91754 SOLV 1001 1.91754 3435 923 TIP3 OH2 -11.79613 13.40736 1.85451 SOLV 1002 1.85451 3436 923 TIP3 H1 -11.16015 14.09826 1.85663 SOLV 1002 1.85663 3437 923 TIP3 H2 -11.70321 12.95991 2.67008 SOLV 1002 2.67008 3438 924 TIP3 OH2 -15.81383 9.40558 2.36786 SOLV 1003 2.36786 3439 924 TIP3 H1 -16.05694 10.34873 2.09716 SOLV 1003 2.09716 3440 924 TIP3 H2 -15.23398 9.65200 3.12365 SOLV 1003 3.12365 3441 925 TIP3 OH2 -26.88939 13.43461 8.27698 SOLV 1004 8.27698 3442 925 TIP3 H1 -25.96087 13.62028 8.13469 SOLV 1004 8.13469 3443 925 TIP3 H2 -27.26200 13.33669 7.38819 SOLV 1004 7.38819 3444 926 TIP3 OH2 -23.43755 12.38659 -3.36842 SOLV 1005 -3.36842 3445 926 TIP3 H1 -23.39462 11.75660 -4.07814 SOLV 1005 -4.07814 3446 926 TIP3 H2 -24.40561 12.18537 -3.27368 SOLV 1005 -3.27368 3447 927 TIP3 OH2 -18.50684 17.10828 -9.05665 SOLV 1006 -9.05665 3448 927 TIP3 H1 -18.03669 16.27848 -9.36568 SOLV 1006 -9.36568 3449 927 TIP3 H2 -19.35522 16.75225 -9.04090 SOLV 1006 -9.04090 3450 928 TIP3 OH2 -14.66271 11.22576 7.31190 SOLV 1007 7.31190 3451 928 TIP3 H1 -15.38287 10.59657 7.64958 SOLV 1007 7.64958 3452 928 TIP3 H2 -14.70678 11.02850 6.38537 SOLV 1007 6.38537 3453 929 TIP3 OH2 -19.96892 14.34266 4.68983 SOLV 1008 4.68983 3454 929 TIP3 H1 -20.83436 14.25338 4.17236 SOLV 1008 4.17236 3455 929 TIP3 H2 -19.61480 13.40051 4.59347 SOLV 1008 4.59347 3456 930 TIP3 OH2 -18.79415 14.28043 -6.79403 SOLV 1009 -6.79403 3457 930 TIP3 H1 -19.15071 13.38829 -6.57339 SOLV 1009 -6.57339 3458 930 TIP3 H2 -19.42066 14.50558 -7.49560 SOLV 1009 -7.49560 3459 931 TIP3 OH2 -14.90948 9.97042 -4.97909 SOLV 1010 -4.97909 3460 931 TIP3 H1 -15.46715 9.36883 -5.49601 SOLV 1010 -5.49601 3461 931 TIP3 H2 -15.38865 9.88658 -4.12530 SOLV 1010 -4.12530 3462 932 TIP3 OH2 -10.96251 10.50348 -2.38996 SOLV 1011 -2.38996 3463 932 TIP3 H1 -10.24895 11.01933 -2.66199 SOLV 1011 -2.66199 3464 932 TIP3 H2 -11.23595 10.10019 -3.23953 SOLV 1011 -3.23953 3465 933 TIP3 OH2 -11.49001 9.46857 -5.17726 SOLV 1012 -5.17726 3466 933 TIP3 H1 -11.50758 10.22095 -5.85762 SOLV 1012 -5.85762 3467 933 TIP3 H2 -12.37614 9.65152 -4.87719 SOLV 1012 -4.87719 3468 934 TIP3 OH2 -18.13082 17.93807 -2.35296 SOLV 1013 -2.35296 3469 934 TIP3 H1 -17.48928 18.38756 -2.96884 SOLV 1013 -2.96884 3470 934 TIP3 H2 -17.67144 17.98362 -1.48200 SOLV 1013 -1.48200 3471 935 TIP3 OH2 -13.24206 16.75361 6.01193 SOLV 1014 6.01193 3472 935 TIP3 H1 -12.99863 17.56281 6.50377 SOLV 1014 6.50377 3473 935 TIP3 H2 -14.18281 16.83914 6.05908 SOLV 1014 6.05908 3474 936 TIP3 OH2 -21.95656 11.56428 -0.91240 SOLV 1015 -0.91240 3475 936 TIP3 H1 -22.52467 10.76636 -0.86507 SOLV 1015 -0.86507 3476 936 TIP3 H2 -22.02142 11.76050 -1.86117 SOLV 1015 -1.86117 3477 937 TIP3 OH2 -23.72878 11.64867 1.99151 SOLV 1016 1.99151 3478 937 TIP3 H1 -22.93926 11.14091 2.39199 SOLV 1016 2.39199 3479 937 TIP3 H2 -23.20203 12.10940 1.36547 SOLV 1016 1.36547 3480 938 TIP3 OH2 -24.32038 10.36668 7.87215 SOLV 1017 7.87215 3481 938 TIP3 H1 -24.35699 10.97408 7.14547 SOLV 1017 7.14547 3482 938 TIP3 H2 -24.28399 9.55675 7.38089 SOLV 1017 7.38089 3483 939 TIP3 OH2 -11.50476 16.80766 3.71185 SOLV 1018 3.71185 3484 939 TIP3 H1 -11.92873 17.32173 4.41528 SOLV 1018 4.41528 3485 939 TIP3 H2 -10.57455 16.84313 4.08596 SOLV 1018 4.08596 3486 940 TIP3 OH2 -12.08844 13.85468 7.95186 SOLV 1019 7.95186 3487 940 TIP3 H1 -11.51357 13.37130 8.51006 SOLV 1019 8.51006 3488 940 TIP3 H2 -11.95859 14.77636 8.30046 SOLV 1019 8.30046 3489 941 TIP3 OH2 -23.61144 17.80279 8.66518 SOLV 1020 8.66518 3490 941 TIP3 H1 -24.27812 18.13399 9.30855 SOLV 1020 9.30855 3491 941 TIP3 H2 -23.67071 16.88612 8.76676 SOLV 1020 8.76676 3492 942 TIP3 OH2 -10.06995 15.23119 -1.83882 SOLV 1021 -1.83882 3493 942 TIP3 H1 -10.03710 15.84774 -1.09225 SOLV 1021 -1.09225 3494 942 TIP3 H2 -9.20007 14.92468 -1.90677 SOLV 1021 -1.90677 3495 943 TIP3 OH2 -17.19637 12.31914 -8.45226 SOLV 1022 -8.45226 3496 943 TIP3 H1 -17.54043 12.66201 -7.57083 SOLV 1022 -7.57083 3497 943 TIP3 H2 -16.23394 12.36479 -8.14402 SOLV 1022 -8.14402 3498 944 TIP3 OH2 -13.66587 9.25908 0.18750 SOLV 1023 0.18750 3499 944 TIP3 H1 -13.84456 10.25533 0.17378 SOLV 1023 0.17378 3500 944 TIP3 H2 -14.17285 9.11101 0.95805 SOLV 1023 0.95805 3501 945 TIP3 OH2 -17.27328 15.17223 8.35065 SOLV 1024 8.35065 3502 945 TIP3 H1 -16.49025 14.58155 8.44120 SOLV 1024 8.44120 3503 945 TIP3 H2 -17.11125 15.37352 7.41017 SOLV 1024 7.41017 3504 946 TIP3 OH2 -9.40107 13.46030 5.79789 SOLV 1025 5.79789 3505 946 TIP3 H1 -9.14763 12.78092 5.20020 SOLV 1025 5.20020 3506 946 TIP3 H2 -10.36523 13.65623 5.45375 SOLV 1025 5.45375 3507 947 TIP3 OH2 -13.32835 13.46290 -4.70814 SOLV 1026 -4.70814 3508 947 TIP3 H1 -13.92080 14.20145 -4.70603 SOLV 1026 -4.70603 3509 947 TIP3 H2 -13.44065 13.09605 -5.64573 SOLV 1026 -5.64573 3510 948 TIP3 OH2 -11.99971 17.03141 -2.96171 SOLV 1027 -2.96171 3511 948 TIP3 H1 -11.15640 16.55682 -3.10770 SOLV 1027 -3.10770 3512 948 TIP3 H2 -11.59166 17.66852 -2.37398 SOLV 1027 -2.37398 3513 949 TIP3 OH2 -18.96255 10.17249 -3.15131 SOLV 1028 -3.15131 3514 949 TIP3 H1 -19.18862 9.22301 -2.90255 SOLV 1028 -2.90255 3515 949 TIP3 H2 -18.02785 10.18879 -2.85402 SOLV 1028 -2.85402 3516 950 TIP3 OH2 -10.37461 17.57006 -5.78339 SOLV 1029 -5.78339 3517 950 TIP3 H1 -10.13548 17.67123 -6.66676 SOLV 1029 -6.66676 3518 950 TIP3 H2 -9.55054 17.28108 -5.35816 SOLV 1029 -5.35816 3519 951 TIP3 OH2 -19.77133 15.81177 -1.85043 SOLV 1030 -1.85043 3520 951 TIP3 H1 -19.34272 15.26809 -1.11573 SOLV 1030 -1.11573 3521 951 TIP3 H2 -19.25267 16.64823 -1.82169 SOLV 1030 -1.82169 3522 952 TIP3 OH2 -11.00625 12.03509 -6.55872 SOLV 1031 -6.55872 3523 952 TIP3 H1 -10.70031 11.55759 -7.40708 SOLV 1031 -7.40708 3524 952 TIP3 H2 -11.15183 12.84798 -7.02448 SOLV 1031 -7.02448 3525 953 TIP3 OH2 -24.21800 14.42479 7.82673 SOLV 1032 7.82673 3526 953 TIP3 H1 -23.27685 14.09305 7.77328 SOLV 1032 7.77328 3527 953 TIP3 H2 -24.16738 14.92857 6.99464 SOLV 1032 6.99464 3528 954 TIP3 OH2 -17.83433 9.88492 -9.42202 SOLV 1033 -9.42202 3529 954 TIP3 H1 -18.17248 9.39109 -8.62933 SOLV 1033 -8.62933 3530 954 TIP3 H2 -17.88156 10.75493 -9.06161 SOLV 1033 -9.06161 3531 955 TIP3 OH2 -13.07525 10.97515 9.54858 SOLV 1034 9.54858 3532 955 TIP3 H1 -13.43227 11.00635 8.63523 SOLV 1034 8.63523 3533 955 TIP3 H2 -12.58885 10.13483 9.55010 SOLV 1034 9.55010 3534 956 TIP3 OH2 -15.82834 15.29501 5.51938 SOLV 1035 5.51938 3535 956 TIP3 H1 -15.25273 14.92074 6.22292 SOLV 1035 6.22292 3536 956 TIP3 H2 -15.18565 15.50837 4.80840 SOLV 1035 4.80840 3537 957 TIP3 OH2 -25.88700 15.36615 -5.07511 SOLV 1036 -5.07511 3538 957 TIP3 H1 -25.26179 15.00463 -5.69241 SOLV 1036 -5.69241 3539 957 TIP3 H2 -26.52542 14.79069 -5.18589 SOLV 1036 -5.18589 3540 958 TIP3 OH2 -11.35289 16.41612 9.02354 SOLV 1037 9.02354 3541 958 TIP3 H1 -10.93343 16.94986 9.63968 SOLV 1037 9.63968 3542 958 TIP3 H2 -10.54929 16.32019 8.47147 SOLV 1037 8.47147 3543 959 TIP3 OH2 -23.98392 16.50591 -3.55422 SOLV 1038 -3.55422 3544 959 TIP3 H1 -24.41163 17.01330 -2.91816 SOLV 1038 -2.91816 3545 959 TIP3 H2 -24.59057 15.73784 -3.84638 SOLV 1038 -3.84638 3546 960 TIP3 OH2 -20.89783 16.01432 -8.41119 SOLV 1039 -8.41119 3547 960 TIP3 H1 -21.03987 16.88990 -7.99651 SOLV 1039 -7.99651 3548 960 TIP3 H2 -21.31349 15.40691 -7.76713 SOLV 1039 -7.76713 3549 961 TIP3 OH2 -12.44757 12.24780 -0.57975 SOLV 1040 -0.57975 3550 961 TIP3 H1 -11.84625 11.81642 -1.20238 SOLV 1040 -1.20238 3551 961 TIP3 H2 -11.97107 13.00976 -0.35564 SOLV 1040 -0.35564 3552 962 TIP3 OH2 -19.66312 16.73491 2.19125 SOLV 1041 2.19125 3553 962 TIP3 H1 -18.73728 16.79959 2.48236 SOLV 1041 2.48236 3554 962 TIP3 H2 -19.66543 16.05202 1.48445 SOLV 1041 1.48445 3555 963 TIP3 OH2 -14.95395 13.87079 7.73643 SOLV 1042 7.73643 3556 963 TIP3 H1 -14.88560 12.89773 7.66704 SOLV 1042 7.66704 3557 963 TIP3 H2 -13.96709 14.01943 7.81122 SOLV 1042 7.81122 3558 964 TIP3 OH2 -22.27965 13.69499 -6.86148 SOLV 1043 -6.86148 3559 964 TIP3 H1 -23.23950 13.87921 -7.06761 SOLV 1043 -7.06761 3560 964 TIP3 H2 -22.14521 12.83997 -7.36225 SOLV 1043 -7.36225 3561 965 TIP3 OH2 -26.97810 17.69735 -3.63325 SOLV 1044 -3.63325 3562 965 TIP3 H1 -26.65765 16.84018 -4.07023 SOLV 1044 -4.07023 3563 965 TIP3 H2 -26.37731 17.67708 -2.87059 SOLV 1044 -2.87059 3564 966 TIP3 OH2 -22.08682 17.80512 -1.28253 SOLV 1045 -1.28253 3565 966 TIP3 H1 -22.38522 18.57884 -1.73507 SOLV 1045 -1.73507 3566 966 TIP3 H2 -21.86037 18.12768 -0.39205 SOLV 1045 -0.39205 3567 967 TIP3 OH2 -21.68942 14.41456 -4.17028 SOLV 1046 -4.17028 3568 967 TIP3 H1 -22.44590 13.88442 -3.93495 SOLV 1046 -3.93495 3569 967 TIP3 H2 -21.71071 14.33491 -5.19134 SOLV 1046 -5.19134 3570 968 TIP3 OH2 -25.18855 9.43009 -8.16876 SOLV 1047 -8.16876 3571 968 TIP3 H1 -25.89256 10.07749 -8.47016 SOLV 1047 -8.47016 3572 968 TIP3 H2 -24.82909 9.30587 -9.06458 SOLV 1047 -9.06458 3573 969 TIP3 OH2 -18.32434 16.49900 5.21960 SOLV 1048 5.21960 3574 969 TIP3 H1 -18.98230 15.80556 5.45588 SOLV 1048 5.45588 3575 969 TIP3 H2 -17.62778 16.03242 4.93201 SOLV 1048 4.93201 3576 970 TIP3 OH2 -20.13326 9.66144 0.64749 SOLV 1049 0.64749 3577 970 TIP3 H1 -19.29980 10.03515 0.25234 SOLV 1049 0.25234 3578 970 TIP3 H2 -20.80930 10.30293 0.22899 SOLV 1049 0.22899 3579 971 TIP3 OH2 -26.94392 10.60266 -0.24201 SOLV 1050 -0.24201 3580 971 TIP3 H1 -26.58672 10.55423 0.61937 SOLV 1050 0.61937 3581 971 TIP3 H2 -27.87153 10.62530 0.04072 SOLV 1050 0.04072 3582 972 TIP3 OH2 -25.40213 17.63441 -1.35305 SOLV 1051 -1.35305 3583 972 TIP3 H1 -26.27751 17.36491 -1.04078 SOLV 1051 -1.04078 3584 972 TIP3 H2 -24.97690 17.94889 -0.57985 SOLV 1051 -0.57985 3585 973 TIP3 OH2 -14.92586 11.81329 0.87746 SOLV 1052 0.87746 3586 973 TIP3 H1 -14.52854 12.29694 1.62148 SOLV 1052 1.62148 3587 973 TIP3 H2 -14.60804 12.30541 0.12611 SOLV 1052 0.12611 3588 974 TIP3 OH2 -17.98142 16.87603 -6.00410 SOLV 1053 -6.00410 3589 974 TIP3 H1 -18.31231 16.75414 -6.87826 SOLV 1053 -6.87826 3590 974 TIP3 H2 -17.89705 17.82931 -6.03905 SOLV 1053 -6.03905 3591 975 TIP3 OH2 -14.27318 11.91433 -2.47979 SOLV 1054 -2.47979 3592 975 TIP3 H1 -13.64578 12.08642 -1.77225 SOLV 1054 -1.77225 3593 975 TIP3 H2 -13.71666 12.19202 -3.24340 SOLV 1054 -3.24340 3594 976 TIP3 OH2 -17.07972 12.51575 5.67838 SOLV 1055 5.67838 3595 976 TIP3 H1 -16.39323 12.40119 4.97521 SOLV 1055 4.97521 3596 976 TIP3 H2 -16.77251 13.39632 5.87131 SOLV 1055 5.87131 3597 977 TIP3 OH2 -27.78434 16.32977 4.86424 SOLV 1057 4.86424 3598 977 TIP3 H1 -26.95755 16.75467 5.07590 SOLV 1057 5.07590 3599 977 TIP3 H2 -27.74009 15.66468 5.53421 SOLV 1057 5.53421 3600 978 TIP3 OH2 -14.83337 12.46862 4.02389 SOLV 1058 4.02389 3601 978 TIP3 H1 -14.06130 12.88878 4.44871 SOLV 1058 4.44871 3602 978 TIP3 H2 -14.57830 11.49663 4.05166 SOLV 1058 4.05166 3603 979 TIP3 OH2 -19.14866 12.48104 -0.98536 SOLV 1059 -0.98536 3604 979 TIP3 H1 -18.66414 11.94936 -1.66264 SOLV 1059 -1.66264 3605 979 TIP3 H2 -20.05091 12.12956 -1.03727 SOLV 1059 -1.03727 3606 980 TIP3 OH2 -25.91259 10.05368 2.52399 SOLV 1060 2.52399 3607 980 TIP3 H1 -25.12342 10.58774 2.62742 SOLV 1060 2.62742 3608 980 TIP3 H2 -25.46088 9.18187 2.28887 SOLV 1060 2.28887 3609 981 TIP3 OH2 -14.62286 12.22329 -7.28060 SOLV 1061 -7.28060 3610 981 TIP3 H1 -13.94008 11.76513 -7.83076 SOLV 1061 -7.83076 3611 981 TIP3 H2 -14.88306 11.50276 -6.66431 SOLV 1061 -6.66431 3612 982 TIP3 OH2 -23.56139 10.52043 -5.42020 SOLV 1062 -5.42020 3613 982 TIP3 H1 -22.85481 9.89621 -5.18236 SOLV 1062 -5.18236 3614 982 TIP3 H2 -23.26761 10.76918 -6.31160 SOLV 1062 -6.31160 3615 983 TIP3 OH2 -15.73198 15.90832 -3.83632 SOLV 1063 -3.83632 3616 983 TIP3 H1 -15.78782 16.86657 -3.85291 SOLV 1063 -3.85291 3617 983 TIP3 H2 -15.18354 15.80079 -2.97587 SOLV 1063 -2.97587 3618 984 TIP3 OH2 -10.15678 14.13044 -8.07454 SOLV 1065 -8.07454 3619 984 TIP3 H1 -10.15364 15.05968 -7.93925 SOLV 1065 -7.93925 3620 984 TIP3 H2 -9.56138 13.95906 -8.81530 SOLV 1065 -8.81530 3621 985 TIP3 OH2 -18.50079 11.78915 -5.81098 SOLV 1066 -5.81098 3622 985 TIP3 H1 -17.60296 11.86424 -5.40725 SOLV 1066 -5.40725 3623 985 TIP3 H2 -18.74297 10.82622 -5.84229 SOLV 1066 -5.84229 3624 986 TIP3 OH2 -26.18403 14.41936 -1.08113 SOLV 1067 -1.08113 3625 986 TIP3 H1 -26.24948 13.59789 -1.54567 SOLV 1067 -1.54567 3626 986 TIP3 H2 -25.23157 14.66499 -1.19418 SOLV 1067 -1.19418 3627 987 TIP3 OH2 -23.35476 14.45009 -1.63530 SOLV 1068 -1.63530 3628 987 TIP3 H1 -22.79852 13.92690 -0.99814 SOLV 1068 -0.99814 3629 987 TIP3 H2 -23.41271 13.81260 -2.38745 SOLV 1068 -2.38745 3630 988 TIP3 OH2 -25.88016 11.71141 -6.12904 SOLV 1069 -6.12904 3631 988 TIP3 H1 -26.36599 10.89285 -6.45894 SOLV 1069 -6.45894 3632 988 TIP3 H2 -25.05769 11.30453 -5.81645 SOLV 1069 -5.81645 3633 989 TIP3 OH2 -27.72029 16.74052 0.10949 SOLV 1070 0.10949 3634 989 TIP3 H1 -27.61458 15.88908 0.50061 SOLV 1070 0.50061 3635 989 TIP3 H2 -27.54048 17.32089 0.96675 SOLV 1070 0.96675 3636 990 TIP3 OH2 -12.77107 13.92143 5.29077 SOLV 1071 5.29077 3637 990 TIP3 H1 -12.66963 14.90993 5.32102 SOLV 1071 5.32102 3638 990 TIP3 H2 -12.51312 13.62598 6.16455 SOLV 1071 6.16455 3639 991 TIP3 OH2 -13.61609 15.13672 0.56836 SOLV 1072 0.56836 3640 991 TIP3 H1 -13.64930 15.32820 -0.37638 SOLV 1072 -0.37638 3641 991 TIP3 H2 -12.80132 14.62905 0.59099 SOLV 1072 0.59099 3642 992 TIP3 OH2 -9.71555 12.22172 -4.11513 SOLV 1073 -4.11513 3643 992 TIP3 H1 -9.68652 11.85905 -5.07533 SOLV 1073 -5.07533 3644 992 TIP3 H2 -10.40556 12.91054 -4.13853 SOLV 1073 -4.13853 3645 993 TIP3 OH2 -20.42998 17.61998 -4.08455 SOLV 1074 -4.08455 3646 993 TIP3 H1 -19.70853 18.07201 -3.58595 SOLV 1074 -3.58595 3647 993 TIP3 H2 -19.97535 16.95788 -4.60975 SOLV 1074 -4.60975 3648 994 TIP3 OH2 -22.89015 11.30861 -8.27265 SOLV 1075 -8.27265 3649 994 TIP3 H1 -22.73483 11.45037 -9.21183 SOLV 1075 -9.21183 3650 994 TIP3 H2 -23.61515 10.65721 -8.36018 SOLV 1075 -8.36018 3651 995 TIP3 OH2 -19.57089 11.30431 5.14648 SOLV 1076 5.14648 3652 995 TIP3 H1 -18.67372 11.40208 5.53006 SOLV 1076 5.53006 3653 995 TIP3 H2 -20.02268 11.47119 5.96770 SOLV 1076 5.96770 3654 996 TIP3 OH2 -21.34842 14.91240 7.82320 SOLV 1077 7.82320 3655 996 TIP3 H1 -21.34904 15.17589 8.79029 SOLV 1077 8.79029 3656 996 TIP3 H2 -20.67841 14.17161 7.70408 SOLV 1077 7.70408 3657 997 TIP3 OH2 -20.76834 9.38665 -7.93210 SOLV 1078 -7.93210 3658 997 TIP3 H1 -21.34027 10.17867 -7.94094 SOLV 1078 -7.94094 3659 997 TIP3 H2 -20.69512 9.12228 -6.94032 SOLV 1078 -6.94032 3660 998 TIP3 OH2 -13.73039 15.33170 -2.03847 SOLV 1079 -2.03847 3661 998 TIP3 H1 -13.67217 14.51423 -2.54169 SOLV 1079 -2.54169 3662 998 TIP3 H2 -12.94869 15.85462 -2.35422 SOLV 1079 -2.35422 3663 999 SOD SOD -17.14115 14.88626 -5.40347 SOLV 1081 -5.40347 3664 1000 TIP3 OH2 1.19465 -15.14591 -7.90671 SOLV 1082 -7.90671 3665 1000 TIP3 H1 1.69822 -14.62924 -7.23080 SOLV 1082 -7.23080 3666 1000 TIP3 H2 1.67065 -14.91230 -8.71326 SOLV 1082 -8.71326 3667 1001 TIP3 OH2 6.97382 -10.14744 9.03408 SOLV 1083 9.03408 3668 1001 TIP3 H1 7.49549 -9.91267 8.27089 SOLV 1083 8.27089 3669 1001 TIP3 H2 7.65487 -10.78751 9.42276 SOLV 1083 9.42276 3670 1002 TIP3 OH2 -4.12721 -13.72921 0.27475 SOLV 1084 0.27475 3671 1002 TIP3 H1 -3.49486 -12.99271 0.33971 SOLV 1084 0.33971 3672 1002 TIP3 H2 -4.94394 -13.27390 0.29465 SOLV 1084 0.29465 3673 1003 TIP3 OH2 -4.65756 -9.53258 -0.62609 SOLV 1085 -0.62609 3674 1003 TIP3 H1 -4.80236 -10.02085 0.20350 SOLV 1085 0.20350 3675 1003 TIP3 H2 -5.48541 -9.74892 -1.07407 SOLV 1085 -1.07407 3676 1004 TIP3 OH2 -2.33492 -17.01567 -9.71410 SOLV 1086 -9.71410 3677 1004 TIP3 H1 -2.05063 -16.53071 -8.92722 SOLV 1086 -8.92722 3678 1004 TIP3 H2 -2.75792 -17.91965 -9.40723 SOLV 1086 -9.40723 3679 1005 TIP3 OH2 -0.28351 -11.06676 -2.66253 SOLV 1087 -2.66253 3680 1005 TIP3 H1 -1.15348 -11.38899 -2.35555 SOLV 1087 -2.35555 3681 1005 TIP3 H2 0.34813 -11.35595 -1.93149 SOLV 1087 -1.93149 3682 1006 TIP3 OH2 -1.39188 -15.83520 -7.45380 SOLV 1088 -7.45380 3683 1006 TIP3 H1 -1.25230 -15.43310 -6.55556 SOLV 1088 -6.55556 3684 1006 TIP3 H2 -0.40509 -15.61347 -7.59167 SOLV 1088 -7.59167 3685 1007 TIP3 OH2 -2.34652 -11.76858 0.99736 SOLV 1089 0.99736 3686 1007 TIP3 H1 -1.64816 -11.01166 1.06871 SOLV 1089 1.06871 3687 1007 TIP3 H2 -1.84452 -12.49531 1.39218 SOLV 1089 1.39218 3688 1008 TIP3 OH2 -8.21119 -17.09527 -1.18481 SOLV 1090 -1.18481 3689 1008 TIP3 H1 -8.16765 -16.22401 -1.06369 SOLV 1090 -1.06369 3690 1008 TIP3 H2 -7.29652 -17.33411 -1.34420 SOLV 1090 -1.34420 3691 1009 TIP3 OH2 -7.41911 -16.19956 -6.57559 SOLV 1091 -6.57559 3692 1009 TIP3 H1 -7.61747 -15.96793 -5.65995 SOLV 1091 -5.65995 3693 1009 TIP3 H2 -6.80383 -15.42120 -6.65308 SOLV 1091 -6.65308 3694 1010 TIP3 OH2 9.26574 -10.77968 -4.26716 SOLV 1092 -4.26716 3695 1010 TIP3 H1 9.56323 -11.12602 -5.13790 SOLV 1092 -5.13790 3696 1010 TIP3 H2 8.53444 -10.22780 -4.53899 SOLV 1092 -4.53899 3697 1011 TIP3 OH2 -5.93160 -13.58961 6.39041 SOLV 1093 6.39041 3698 1011 TIP3 H1 -5.56818 -14.25922 5.84034 SOLV 1093 5.84034 3699 1011 TIP3 H2 -6.47008 -14.05805 7.04034 SOLV 1093 7.04034 3700 1012 TIP3 OH2 9.55870 -13.05593 7.98367 SOLV 1094 7.98367 3701 1012 TIP3 H1 9.49216 -12.54032 8.82304 SOLV 1094 8.82304 3702 1012 TIP3 H2 9.01974 -13.79255 8.18323 SOLV 1094 8.18323 3703 1013 TIP3 OH2 -7.47990 -11.39923 -6.84457 SOLV 1095 -6.84457 3704 1013 TIP3 H1 -7.14834 -10.71645 -7.38398 SOLV 1095 -7.38398 3705 1013 TIP3 H2 -6.66128 -11.92896 -6.78329 SOLV 1095 -6.78329 3706 1014 TIP3 OH2 7.67829 -14.76884 -9.16371 SOLV 1096 -9.16371 3707 1014 TIP3 H1 6.98901 -14.72919 -9.82940 SOLV 1096 -9.82940 3708 1014 TIP3 H2 7.33576 -14.17661 -8.47162 SOLV 1096 -8.47162 3709 1015 TIP3 OH2 -0.45739 -15.42048 -0.75896 SOLV 1097 -0.75896 3710 1015 TIP3 H1 -1.34827 -15.41454 -1.14256 SOLV 1097 -1.14256 3711 1015 TIP3 H2 -0.68889 -14.99768 0.09739 SOLV 1097 0.09739 3712 1016 TIP3 OH2 -4.54344 -11.37622 -7.22681 SOLV 1098 -7.22681 3713 1016 TIP3 H1 -5.04406 -10.54730 -7.15066 SOLV 1098 -7.15066 3714 1016 TIP3 H2 -3.83284 -11.17217 -7.82766 SOLV 1098 -7.82766 3715 1017 TIP3 OH2 6.21233 -17.27037 -6.97557 SOLV 1099 -6.97557 3716 1017 TIP3 H1 5.80884 -17.13627 -7.83795 SOLV 1099 -7.83795 3717 1017 TIP3 H2 7.09600 -16.84559 -7.11832 SOLV 1099 -7.11832 3718 1018 TIP3 OH2 4.76336 -17.81468 9.51642 SOLV 1100 9.51642 3719 1018 TIP3 H1 5.25671 -17.62749 8.60083 SOLV 1100 8.60083 3720 1018 TIP3 H2 3.88776 -18.18392 9.16836 SOLV 1100 9.16836 3721 1019 TIP3 OH2 -0.69948 -11.63018 -5.33629 SOLV 1101 -5.33629 3722 1019 TIP3 H1 -0.48888 -12.55318 -5.51669 SOLV 1101 -5.51669 3723 1019 TIP3 H2 -0.21234 -11.42309 -4.54278 SOLV 1101 -4.54278 3724 1020 TIP3 OH2 -9.05783 -16.33147 3.34809 SOLV 1102 3.34809 3725 1020 TIP3 H1 -9.43370 -16.43312 4.22832 SOLV 1102 4.22832 3726 1020 TIP3 H2 -8.71276 -15.40996 3.30419 SOLV 1102 3.30419 3727 1021 TIP3 OH2 4.63101 -12.44371 7.91502 SOLV 1103 7.91502 3728 1021 TIP3 H1 4.01762 -11.81650 7.52957 SOLV 1103 7.52957 3729 1021 TIP3 H2 4.61472 -12.03819 8.81665 SOLV 1103 8.81665 3730 1022 TIP3 OH2 1.31930 -15.19267 -3.01256 SOLV 1104 -3.01256 3731 1022 TIP3 H1 2.10504 -15.47402 -2.55793 SOLV 1104 -2.55793 3732 1022 TIP3 H2 0.56917 -15.46722 -2.45368 SOLV 1104 -2.45368 3733 1023 TIP3 OH2 9.03917 -11.63218 -8.37383 SOLV 1105 -8.37383 3734 1023 TIP3 H1 8.43727 -12.02412 -7.74716 SOLV 1105 -7.74716 3735 1023 TIP3 H2 9.81986 -11.44941 -7.81180 SOLV 1105 -7.81180 3736 1024 TIP3 OH2 7.12234 -10.57194 -0.87268 SOLV 1106 -0.87268 3737 1024 TIP3 H1 7.33706 -9.62928 -1.20096 SOLV 1106 -1.20096 3738 1024 TIP3 H2 6.43163 -10.22603 -0.17425 SOLV 1106 -0.17425 3739 1025 TIP3 OH2 -2.91668 -16.30365 2.52320 SOLV 1107 2.52320 3740 1025 TIP3 H1 -2.77147 -16.67193 3.40388 SOLV 1107 3.40388 3741 1025 TIP3 H2 -2.30009 -15.60797 2.58371 SOLV 1107 2.58371 3742 1026 TIP3 OH2 0.59943 -13.91271 6.32450 SOLV 1108 6.32450 3743 1026 TIP3 H1 -0.41032 -13.79861 6.34152 SOLV 1108 6.34152 3744 1026 TIP3 H2 0.95496 -14.22978 7.17829 SOLV 1108 7.17829 3745 1027 TIP3 OH2 2.29062 -14.26915 1.44207 SOLV 1109 1.44207 3746 1027 TIP3 H1 3.23449 -14.34778 1.36476 SOLV 1109 1.36476 3747 1027 TIP3 H2 2.18487 -15.22610 1.50260 SOLV 1109 1.50260 3748 1028 TIP3 OH2 4.75976 -15.22349 -5.44878 SOLV 1110 -5.44878 3749 1028 TIP3 H1 3.91754 -15.50956 -5.71163 SOLV 1110 -5.71163 3750 1028 TIP3 H2 5.28830 -15.73981 -6.03100 SOLV 1110 -6.03100 3751 1029 TIP3 OH2 -0.42878 -10.37313 7.32292 SOLV 1111 7.32292 3752 1029 TIP3 H1 -0.23370 -10.06400 8.19473 SOLV 1111 8.19473 3753 1029 TIP3 H2 0.04655 -9.77252 6.74633 SOLV 1111 6.74633 3754 1030 TIP3 OH2 -6.26155 -15.11783 2.54506 SOLV 1112 2.54506 3755 1030 TIP3 H1 -6.47940 -14.61153 1.75897 SOLV 1112 1.75897 3756 1030 TIP3 H2 -5.90588 -15.89948 2.18926 SOLV 1112 2.18926 3757 1031 TIP3 OH2 -8.26068 -15.33370 -4.23051 SOLV 1113 -4.23051 3758 1031 TIP3 H1 -7.55344 -15.99335 -3.85005 SOLV 1113 -3.85005 3759 1031 TIP3 H2 -8.98994 -15.96689 -4.26617 SOLV 1113 -4.26617 3760 1032 TIP3 OH2 2.82061 -16.36380 6.15314 SOLV 1114 6.15314 3761 1032 TIP3 H1 2.70340 -17.02542 5.50926 SOLV 1114 5.50926 3762 1032 TIP3 H2 2.98057 -15.57946 5.68860 SOLV 1114 5.68860 3763 1033 TIP3 OH2 -4.53613 -17.52074 -6.24968 SOLV 1115 -6.24968 3764 1033 TIP3 H1 -4.43034 -17.35646 -5.32859 SOLV 1115 -5.32859 3765 1033 TIP3 H2 -4.50223 -16.63882 -6.67686 SOLV 1115 -6.67686 3766 1034 TIP3 OH2 -0.22410 -14.67031 -5.30958 SOLV 1116 -5.30958 3767 1034 TIP3 H1 0.68210 -14.59578 -5.74705 SOLV 1116 -5.74705 3768 1034 TIP3 H2 0.08861 -14.77088 -4.38180 SOLV 1116 -4.38180 3769 1035 TIP3 OH2 -7.29474 -12.90605 0.83402 SOLV 1117 0.83402 3770 1035 TIP3 H1 -7.57488 -13.53068 0.06904 SOLV 1117 0.06904 3771 1035 TIP3 H2 -7.99624 -12.26578 0.72093 SOLV 1117 0.72093 3772 1036 TIP3 OH2 -6.36890 -17.30621 -3.69601 SOLV 1118 -3.69601 3773 1036 TIP3 H1 -5.40546 -17.15930 -3.49587 SOLV 1118 -3.49587 3774 1036 TIP3 H2 -6.40514 -18.13051 -4.26129 SOLV 1118 -4.26129 3775 1037 TIP3 OH2 6.46823 -17.04120 3.37587 SOLV 1119 3.37587 3776 1037 TIP3 H1 6.35265 -16.10047 3.28987 SOLV 1119 3.28987 3777 1037 TIP3 H2 7.47167 -17.09513 3.42009 SOLV 1119 3.42009 3778 1038 TIP3 OH2 5.68540 -17.35369 6.75494 SOLV 1120 6.75494 3779 1038 TIP3 H1 4.74392 -17.37965 6.69294 SOLV 1120 6.69294 3780 1038 TIP3 H2 5.82156 -16.34927 6.82301 SOLV 1120 6.82301 3781 1039 TIP3 OH2 0.64226 -9.67229 -6.74649 SOLV 1121 -6.74649 3782 1039 TIP3 H1 0.14150 -10.38040 -6.32128 SOLV 1121 -6.32128 3783 1039 TIP3 H2 1.51419 -10.15783 -6.84168 SOLV 1121 -6.84168 3784 1040 TIP3 OH2 5.68694 -17.01193 -3.50533 SOLV 1122 -3.50533 3785 1040 TIP3 H1 5.71605 -16.88726 -2.52225 SOLV 1122 -2.52225 3786 1040 TIP3 H2 5.41793 -16.09539 -3.83164 SOLV 1122 -3.83164 3787 1041 TIP3 OH2 2.57790 -14.50026 8.34263 SOLV 1123 8.34263 3788 1041 TIP3 H1 3.37004 -14.07014 8.17731 SOLV 1123 8.17731 3789 1041 TIP3 H2 2.83153 -15.33421 7.84225 SOLV 1123 7.84225 3790 1042 TIP3 OH2 1.29289 -17.00447 1.08560 SOLV 1124 1.08560 3791 1042 TIP3 H1 0.81149 -16.62822 0.34372 SOLV 1124 0.34372 3792 1042 TIP3 H2 1.50626 -17.88788 0.77312 SOLV 1124 0.77312 3793 1043 TIP3 OH2 -3.92412 -12.12722 3.66401 SOLV 1125 3.66401 3794 1043 TIP3 H1 -3.56006 -11.53697 4.36348 SOLV 1125 4.36348 3795 1043 TIP3 H2 -3.39559 -11.92328 2.82279 SOLV 1125 2.82279 3796 1044 TIP3 OH2 -0.75145 -13.89437 1.88050 SOLV 1126 1.88050 3797 1044 TIP3 H1 -0.64601 -14.35917 2.74910 SOLV 1126 2.74910 3798 1044 TIP3 H2 0.16886 -13.81882 1.66375 SOLV 1126 1.66375 3799 1045 TIP3 OH2 4.97351 -14.28516 -2.18215 SOLV 1127 -2.18215 3800 1045 TIP3 H1 4.70627 -15.21816 -1.87066 SOLV 1127 -1.87066 3801 1045 TIP3 H2 5.82326 -14.30929 -1.80082 SOLV 1127 -1.80082 3802 1046 TIP3 OH2 2.87413 -10.90859 -6.27687 SOLV 1128 -6.27687 3803 1046 TIP3 H1 3.33419 -11.37437 -5.54147 SOLV 1128 -5.54147 3804 1046 TIP3 H2 3.58247 -10.90657 -6.91972 SOLV 1128 -6.91972 3805 1047 TIP3 OH2 4.20242 -12.16581 -4.23920 SOLV 1129 -4.23920 3806 1047 TIP3 H1 4.24242 -12.90873 -3.68804 SOLV 1129 -3.68804 3807 1047 TIP3 H2 4.55921 -11.52731 -3.60600 SOLV 1129 -3.60600 3808 1048 TIP3 OH2 5.01163 -11.42705 -7.90960 SOLV 1130 -7.90960 3809 1048 TIP3 H1 5.63924 -10.84874 -8.41417 SOLV 1130 -8.41417 3810 1048 TIP3 H2 5.67790 -12.02380 -7.44200 SOLV 1130 -7.44200 3811 1049 TIP3 OH2 9.55532 -10.88722 0.39072 SOLV 1131 0.39072 3812 1049 TIP3 H1 8.60421 -10.86089 0.18225 SOLV 1131 0.18225 3813 1049 TIP3 H2 9.83375 -9.90559 0.39527 SOLV 1131 0.39527 3814 1050 TIP3 OH2 -2.93321 -10.64329 5.64842 SOLV 1132 5.64842 3815 1050 TIP3 H1 -2.10829 -10.88208 6.19391 SOLV 1132 6.19391 3816 1050 TIP3 H2 -3.13943 -9.69134 5.78693 SOLV 1132 5.78693 3817 1051 TIP3 OH2 4.30517 -11.51223 -1.42184 SOLV 1133 -1.42184 3818 1051 TIP3 H1 5.02234 -12.15157 -1.48308 SOLV 1133 -1.48308 3819 1051 TIP3 H2 4.73226 -10.80507 -0.95192 SOLV 1133 -0.95192 3820 1052 TIP3 OH2 -2.16348 -13.97319 6.56918 SOLV 1134 6.56918 3821 1052 TIP3 H1 -2.71247 -13.53372 5.85111 SOLV 1134 5.85111 3822 1052 TIP3 H2 -2.83336 -14.02565 7.26854 SOLV 1134 7.26854 3823 1053 TIP3 OH2 -6.02137 -10.90897 2.33715 SOLV 1135 2.33715 3824 1053 TIP3 H1 -6.49767 -11.76909 2.08910 SOLV 1135 2.08910 3825 1053 TIP3 H2 -5.51981 -11.29501 3.13938 SOLV 1135 3.13938 3826 1054 TIP3 OH2 -5.35650 -13.37295 -2.66910 SOLV 1136 -2.66910 3827 1054 TIP3 H1 -5.45511 -13.13822 -3.62561 SOLV 1136 -3.62561 3828 1054 TIP3 H2 -4.74183 -12.66758 -2.45682 SOLV 1136 -2.45682 3829 1055 TIP3 OH2 6.35286 -13.39064 -6.87501 SOLV 1137 -6.87501 3830 1055 TIP3 H1 5.52646 -13.57497 -6.39657 SOLV 1137 -6.39657 3831 1055 TIP3 H2 7.05885 -13.57615 -6.20932 SOLV 1137 -6.20932 3832 1056 TIP3 OH2 2.45333 -13.76230 -5.92977 SOLV 1138 -5.92977 3833 1056 TIP3 H1 2.97518 -13.61943 -5.08523 SOLV 1138 -5.08523 3834 1056 TIP3 H2 2.30516 -12.83942 -6.21844 SOLV 1138 -6.21844 3835 1057 TIP3 OH2 -4.07789 -14.69753 4.38171 SOLV 1139 4.38171 3836 1057 TIP3 H1 -3.93205 -13.77065 4.11386 SOLV 1139 4.11386 3837 1057 TIP3 H2 -4.34847 -15.05180 3.54265 SOLV 1139 3.54265 3838 1058 TIP3 OH2 -5.24701 -10.94873 6.92255 SOLV 1140 6.92255 3839 1058 TIP3 H1 -5.49531 -11.90121 7.04381 SOLV 1140 7.04381 3840 1058 TIP3 H2 -4.49098 -11.02254 6.27021 SOLV 1140 6.27021 3841 1059 TIP3 OH2 6.02855 -14.58855 7.28642 SOLV 1141 7.28642 3842 1059 TIP3 H1 5.37161 -13.82401 7.34972 SOLV 1141 7.34972 3843 1059 TIP3 H2 6.66177 -14.28095 6.61601 SOLV 1141 6.61601 3844 1060 TIP3 OH2 8.74424 -9.64990 7.18787 SOLV 1142 7.18787 3845 1060 TIP3 H1 9.52394 -10.24462 7.26902 SOLV 1142 7.26902 3846 1060 TIP3 H2 8.52813 -9.67802 6.29454 SOLV 1142 6.29454 3847 1061 TIP3 OH2 7.32085 -13.41565 0.15282 SOLV 1143 0.15282 3848 1061 TIP3 H1 7.64460 -14.24261 -0.18930 SOLV 1143 -0.18930 3849 1061 TIP3 H2 7.88679 -12.75703 -0.32596 SOLV 1143 -0.32596 3850 1062 TIP3 OH2 -5.53559 -14.00143 -6.45209 SOLV 1144 -6.45209 3851 1062 TIP3 H1 -5.30498 -13.16334 -6.77609 SOLV 1144 -6.77609 3852 1062 TIP3 H2 -4.64164 -14.20343 -6.09231 SOLV 1144 -6.09231 3853 1063 TIP3 OH2 0.61617 -17.78004 4.09476 SOLV 1145 4.09476 3854 1063 TIP3 H1 1.50265 -18.27800 4.01435 SOLV 1145 4.01435 3855 1063 TIP3 H2 0.58189 -17.39889 3.24815 SOLV 1145 3.24815 3856 1064 TIP3 OH2 -8.23993 -11.53962 5.92640 SOLV 1146 5.92640 3857 1064 TIP3 H1 -7.95263 -12.00858 6.69602 SOLV 1146 6.69602 3858 1064 TIP3 H2 -7.92783 -12.16048 5.28377 SOLV 1146 5.28377 3859 1065 TIP3 OH2 -7.81504 -13.19234 3.81299 SOLV 1147 3.81299 3860 1065 TIP3 H1 -7.09858 -13.87968 3.74379 SOLV 1147 3.74379 3861 1065 TIP3 H2 -7.66823 -12.68855 2.92412 SOLV 1147 2.92412 3862 1066 TIP3 OH2 8.55304 -17.35984 -3.96240 SOLV 1148 -3.96240 3863 1066 TIP3 H1 8.56180 -17.80390 -3.05488 SOLV 1148 -3.05488 3864 1066 TIP3 H2 9.35075 -17.77982 -4.23174 SOLV 1148 -4.23174 3865 1067 TIP3 OH2 -2.46203 -11.94024 9.40821 SOLV 1149 9.40821 3866 1067 TIP3 H1 -1.75682 -12.03053 8.74808 SOLV 1149 8.74808 3867 1067 TIP3 H2 -1.99138 -11.27628 9.95425 SOLV 1149 9.95425 3868 1068 TIP3 OH2 -2.87351 -15.19466 -2.21263 SOLV 1150 -2.21263 3869 1068 TIP3 H1 -2.84426 -14.66020 -3.08139 SOLV 1150 -3.08139 3870 1068 TIP3 H2 -3.22070 -14.52570 -1.67125 SOLV 1150 -1.67125 3871 1069 TIP3 OH2 8.39407 -16.42954 5.94168 SOLV 1151 5.94168 3872 1069 TIP3 H1 8.72441 -16.32834 6.81368 SOLV 1151 6.81368 3873 1069 TIP3 H2 7.59879 -16.91566 6.01250 SOLV 1151 6.01250 3874 1070 TIP3 OH2 5.09717 -14.60168 1.49631 SOLV 1152 1.49631 3875 1070 TIP3 H1 5.45644 -14.45370 2.42042 SOLV 1152 2.42042 3876 1070 TIP3 H2 5.79961 -13.96455 1.10561 SOLV 1152 1.10561 3877 1071 TIP3 OH2 3.01159 -17.12351 -6.78555 SOLV 1153 -6.78555 3878 1071 TIP3 H1 3.47185 -17.14825 -7.58297 SOLV 1153 -7.58297 3879 1071 TIP3 H2 2.11424 -16.79250 -7.06675 SOLV 1153 -7.06675 3880 1072 TIP3 OH2 1.24679 -9.54047 5.24557 SOLV 1154 5.24557 3881 1072 TIP3 H1 1.59203 -10.42371 5.51270 SOLV 1154 5.51270 3882 1072 TIP3 H2 1.53588 -9.47125 4.29199 SOLV 1154 4.29199 3883 1073 TIP3 OH2 1.43229 -9.32083 -0.10595 SOLV 1155 -0.10595 3884 1073 TIP3 H1 1.76577 -8.97697 0.71139 SOLV 1155 0.71139 3885 1073 TIP3 H2 1.62843 -10.24369 0.01075 SOLV 1155 0.01075 3886 1074 TIP3 OH2 -9.06782 -9.67415 4.27976 SOLV 1156 4.27976 3887 1074 TIP3 H1 -8.59841 -10.36121 4.78178 SOLV 1156 4.78178 3888 1074 TIP3 H2 -8.39382 -9.42513 3.60723 SOLV 1156 3.60723 3889 1075 TIP3 OH2 3.16444 -9.81308 8.07923 SOLV 1157 8.07923 3890 1075 TIP3 H1 2.26969 -9.46830 8.33392 SOLV 1157 8.33392 3891 1075 TIP3 H2 3.75593 -9.65961 8.83609 SOLV 1157 8.83609 3892 1076 TIP3 OH2 -6.54974 -10.02763 -2.70135 SOLV 1158 -2.70135 3893 1076 TIP3 H1 -6.30914 -9.17063 -3.03397 SOLV 1158 -3.03397 3894 1076 TIP3 H2 -7.51170 -10.17571 -3.00582 SOLV 1158 -3.00582 3895 1077 TIP3 OH2 1.53432 -12.04849 -0.58614 SOLV 1159 -0.58614 3896 1077 TIP3 H1 1.63624 -12.76193 0.03004 SOLV 1159 0.03004 3897 1077 TIP3 H2 2.40959 -12.12150 -1.03235 SOLV 1159 -1.03235 3898 1078 TIP3 OH2 -2.22069 -16.64524 6.13406 SOLV 1160 6.13406 3899 1078 TIP3 H1 -2.16409 -15.68196 5.88380 SOLV 1160 5.88380 3900 1078 TIP3 H2 -2.33183 -16.50082 7.09817 SOLV 1160 7.09817 3901 1079 TIP3 OH2 8.81430 -16.63134 -7.33486 SOLV 1161 -7.33486 3902 1079 TIP3 H1 9.73575 -16.65330 -6.92753 SOLV 1161 -6.92753 3903 1079 TIP3 H2 9.01946 -15.98288 -8.02441 SOLV 1161 -8.02441 3904 1080 TIP3 OH2 5.80366 -14.09907 4.06850 SOLV 1162 4.06850 3905 1080 TIP3 H1 6.60168 -13.73060 4.58014 SOLV 1162 4.58014 3906 1080 TIP3 H2 5.07405 -13.91376 4.65757 SOLV 1162 4.65757 3907 1081 TIP3 OH2 -5.82072 -16.01296 8.24588 SOLV 1163 8.24588 3908 1081 TIP3 H1 -5.46836 -16.69342 7.64783 SOLV 1163 7.64783 3909 1081 TIP3 H2 -5.03339 -15.47896 8.52310 SOLV 1163 8.52310 3910 1082 TIP3 OH2 -8.57888 -17.34876 8.26845 SOLV 1164 8.26845 3911 1082 TIP3 H1 -7.93355 -17.82464 7.69475 SOLV 1164 7.69475 3912 1082 TIP3 H2 -8.02721 -16.60449 8.53963 SOLV 1164 8.53963 3913 1083 TIP3 OH2 -3.48472 -14.47762 8.97861 SOLV 1165 8.97861 3914 1083 TIP3 H1 -3.41851 -13.55299 9.29040 SOLV 1165 9.29040 3915 1083 TIP3 H2 -2.84242 -14.95546 9.57477 SOLV 1165 9.57477 3916 1084 TIP3 OH2 8.04649 -15.36822 -1.82466 SOLV 1166 -1.82466 3917 1084 TIP3 H1 7.94430 -15.52096 -2.79318 SOLV 1166 -2.79318 3918 1084 TIP3 H2 8.55517 -16.17430 -1.66884 SOLV 1166 -1.66884 3919 1085 TIP3 OH2 -3.00633 -11.53866 -1.77887 SOLV 1167 -1.77887 3920 1085 TIP3 H1 -3.74651 -10.91457 -1.71798 SOLV 1167 -1.71798 3921 1085 TIP3 H2 -2.59795 -11.49184 -0.90957 SOLV 1167 -0.90957 3922 1086 TIP3 OH2 8.70615 -12.47207 -2.36766 SOLV 1168 -2.36766 3923 1086 TIP3 H1 8.03660 -11.93722 -1.91411 SOLV 1168 -1.91411 3924 1086 TIP3 H2 9.05663 -11.84791 -3.00085 SOLV 1168 -3.00085 3925 1087 TIP3 OH2 -3.57169 -17.50403 -3.57377 SOLV 1169 -3.57377 3926 1087 TIP3 H1 -2.80890 -18.03561 -3.90664 SOLV 1169 -3.90664 3927 1087 TIP3 H2 -3.09443 -16.70797 -3.11824 SOLV 1169 -3.11824 3928 1088 TIP3 OH2 3.17134 -13.80015 5.20044 SOLV 1170 5.20044 3929 1088 TIP3 H1 3.25947 -13.13174 4.44785 SOLV 1170 4.44785 3930 1088 TIP3 H2 2.25591 -13.70453 5.39967 SOLV 1170 5.39967 3931 1089 TIP3 OH2 4.92317 -16.48439 -0.70069 SOLV 1171 -0.70069 3932 1089 TIP3 H1 5.05951 -16.10192 0.16449 SOLV 1171 0.16449 3933 1089 TIP3 H2 4.60189 -17.38380 -0.37917 SOLV 1171 -0.37917 3934 1090 TIP3 OH2 -2.39795 -9.26597 -5.06022 SOLV 1172 -5.06022 3935 1090 TIP3 H1 -1.83101 -10.08528 -4.74641 SOLV 1172 -4.74641 3936 1090 TIP3 H2 -1.75514 -8.61563 -4.89897 SOLV 1172 -4.89897 3937 1091 TIP3 OH2 -5.79304 -15.98972 -0.07978 SOLV 1173 -0.07978 3938 1091 TIP3 H1 -6.39437 -15.69637 -0.73608 SOLV 1173 -0.73608 3939 1091 TIP3 H2 -5.11852 -15.23196 -0.03946 SOLV 1173 -0.03946 3940 1092 TIP3 OH2 -4.68428 -17.49916 6.01085 SOLV 1174 6.01085 3941 1092 TIP3 H1 -3.71077 -17.41058 6.20780 SOLV 1174 6.20780 3942 1092 TIP3 H2 -4.79301 -16.86978 5.27083 SOLV 1174 5.27083 3943 1093 TIP3 OH2 8.35577 -13.70165 -5.00243 SOLV 1175 -5.00243 3944 1093 TIP3 H1 9.04510 -14.34281 -5.15511 SOLV 1175 -5.15511 3945 1093 TIP3 H2 8.60959 -13.34420 -4.12930 SOLV 1175 -4.12930 3946 1094 TIP3 OH2 -2.88382 -14.17604 -4.79848 SOLV 1176 -4.79848 3947 1094 TIP3 H1 -2.87250 -13.27291 -4.46444 SOLV 1176 -4.46444 3948 1094 TIP3 H2 -1.98624 -14.27812 -5.05708 SOLV 1176 -5.05708 3949 1095 TIP3 OH2 2.43614 -11.86402 3.01034 SOLV 1177 3.01034 3950 1095 TIP3 H1 2.69898 -10.99955 2.83505 SOLV 1177 2.83505 3951 1095 TIP3 H2 2.27074 -12.32981 2.19945 SOLV 1177 2.19945 3952 1096 TIP3 OH2 -7.61862 -14.46500 -1.35880 SOLV 1178 -1.35880 3953 1096 TIP3 H1 -8.43998 -14.27871 -1.88420 SOLV 1178 -1.88420 3954 1096 TIP3 H2 -6.95846 -14.06203 -1.98917 SOLV 1178 -1.98917 3955 1097 TIP3 OH2 8.10881 -13.28792 5.18954 SOLV 1179 5.18954 3956 1097 TIP3 H1 8.77803 -13.76314 4.64366 SOLV 1179 4.64366 3957 1097 TIP3 H2 8.67593 -12.57187 5.51012 SOLV 1179 5.51012 3958 1098 TIP3 OH2 -0.45626 -15.21798 4.14360 SOLV 1180 4.14360 3959 1098 TIP3 H1 0.10128 -14.70730 4.80544 SOLV 1180 4.80544 3960 1098 TIP3 H2 -0.28270 -16.16116 4.39038 SOLV 1180 4.39038 3961 1099 TIP3 OH2 2.60629 12.73480 -4.57522 SOLV 1181 -4.57522 3962 1099 TIP3 H1 2.13300 12.58336 -3.71645 SOLV 1181 -3.71645 3963 1099 TIP3 H2 3.42135 12.24465 -4.33913 SOLV 1181 -4.33913 3964 1100 TIP3 OH2 -2.96046 10.15999 3.41353 SOLV 1182 3.41353 3965 1100 TIP3 H1 -2.62347 9.55735 2.74384 SOLV 1182 2.74384 3966 1100 TIP3 H2 -2.15449 10.39428 3.89745 SOLV 1182 3.89745 3967 1101 TIP3 OH2 4.52204 16.10148 9.34789 SOLV 1183 9.34789 3968 1101 TIP3 H1 5.48329 16.23537 9.58105 SOLV 1183 9.58105 3969 1101 TIP3 H2 4.49360 16.84688 8.71726 SOLV 1183 8.71726 3970 1102 TIP3 OH2 8.85552 12.00540 3.35569 SOLV 1184 3.35569 3971 1102 TIP3 H1 9.49223 11.28425 3.26230 SOLV 1184 3.26230 3972 1102 TIP3 H2 9.38006 12.72024 2.87538 SOLV 1184 2.87538 3973 1103 TIP3 OH2 -0.08685 14.35226 -3.88393 SOLV 1185 -3.88393 3974 1103 TIP3 H1 -1.00773 14.15162 -4.15570 SOLV 1185 -4.15570 3975 1103 TIP3 H2 -0.27004 14.96641 -3.14000 SOLV 1185 -3.14000 3976 1104 TIP3 OH2 -8.71209 10.86067 -8.92521 SOLV 1186 -8.92521 3977 1104 TIP3 H1 -8.67978 11.84029 -9.19177 SOLV 1186 -9.19177 3978 1104 TIP3 H2 -9.01650 10.46696 -9.73966 SOLV 1186 -9.73966 3979 1105 TIP3 OH2 6.90654 10.14904 3.90488 SOLV 1187 3.90488 3980 1105 TIP3 H1 7.29967 11.04983 4.05349 SOLV 1187 4.05349 3981 1105 TIP3 H2 7.74581 9.51784 4.00740 SOLV 1187 4.00740 3982 1106 TIP3 OH2 3.28156 15.06371 -7.11992 SOLV 1188 -7.11992 3983 1106 TIP3 H1 3.33105 15.68373 -7.86724 SOLV 1188 -7.86724 3984 1106 TIP3 H2 3.67924 14.21383 -7.47625 SOLV 1188 -7.47625 3985 1107 TIP3 OH2 -0.53654 13.13548 8.57174 SOLV 1189 8.57174 3986 1107 TIP3 H1 0.05250 12.76436 9.22300 SOLV 1189 9.22300 3987 1107 TIP3 H2 -0.05229 13.94063 8.30477 SOLV 1189 8.30477 3988 1108 TIP3 OH2 -6.24792 13.96638 -7.21332 SOLV 1190 -7.21332 3989 1108 TIP3 H1 -6.76800 13.14647 -6.91651 SOLV 1190 -6.91651 3990 1108 TIP3 H2 -6.89818 14.41284 -7.82872 SOLV 1190 -7.82872 3991 1109 TIP3 OH2 7.76373 10.39924 0.95036 SOLV 1191 0.95036 3992 1109 TIP3 H1 7.08594 11.12585 0.87570 SOLV 1191 0.87570 3993 1109 TIP3 H2 7.44189 9.80557 1.62934 SOLV 1191 1.62934 3994 1110 TIP3 OH2 -2.25773 11.25651 7.79666 SOLV 1192 7.79666 3995 1110 TIP3 H1 -1.73085 10.43268 7.96888 SOLV 1192 7.96888 3996 1110 TIP3 H2 -1.59133 11.92091 8.16664 SOLV 1192 8.16664 3997 1111 TIP3 OH2 -8.88236 16.43234 7.97777 SOLV 1193 7.97777 3998 1111 TIP3 H1 -8.32998 15.63537 8.09289 SOLV 1193 8.09289 3999 1111 TIP3 H2 -8.36075 17.00913 7.45562 SOLV 1193 7.45562 4000 1112 TIP3 OH2 -7.73042 16.26168 -8.21229 SOLV 1194 -8.21229 4001 1112 TIP3 H1 -8.59948 16.63775 -8.37507 SOLV 1194 -8.37507 4002 1112 TIP3 H2 -7.09521 17.00948 -7.99940 SOLV 1194 -7.99940 4003 1113 TIP3 OH2 -9.28354 14.78089 1.91213 SOLV 1195 1.91213 4004 1113 TIP3 H1 -9.19595 15.21614 2.76007 SOLV 1195 2.76007 4005 1113 TIP3 H2 -8.41416 14.28875 1.88151 SOLV 1195 1.88151 4006 1114 TIP3 OH2 1.74035 16.08671 2.55185 SOLV 1196 2.55185 4007 1114 TIP3 H1 2.66120 15.96546 2.88467 SOLV 1196 2.88467 4008 1114 TIP3 H2 1.45521 15.21307 2.80866 SOLV 1196 2.80866 4009 1115 TIP3 OH2 4.42331 15.69251 3.13287 SOLV 1197 3.13287 4010 1115 TIP3 H1 5.34101 15.81978 3.56942 SOLV 1197 3.56942 4011 1115 TIP3 H2 4.53019 15.51182 2.14840 SOLV 1197 2.14840 4012 1116 TIP3 OH2 1.83437 17.59938 0.09242 SOLV 1198 0.09242 4013 1116 TIP3 H1 1.80641 17.29841 1.00022 SOLV 1198 1.00022 4014 1116 TIP3 H2 2.73771 17.89382 0.10901 SOLV 1198 0.10901 4015 1117 TIP3 OH2 -2.47700 17.34295 6.62476 SOLV 1199 6.62476 4016 1117 TIP3 H1 -2.72656 16.45475 6.73463 SOLV 1199 6.73463 4017 1117 TIP3 H2 -3.04563 17.81502 7.27691 SOLV 1199 7.27691 4018 1118 TIP3 OH2 -7.28661 11.44136 -2.67828 SOLV 1200 -2.67828 4019 1118 TIP3 H1 -7.63255 11.15219 -1.75205 SOLV 1200 -1.75205 4020 1118 TIP3 H2 -8.12453 11.67969 -3.11385 SOLV 1200 -3.11385 4021 1119 TIP3 OH2 -0.22761 14.51997 0.65367 SOLV 1201 0.65367 4022 1119 TIP3 H1 -0.40276 13.86447 -0.03086 SOLV 1201 -0.03086 4023 1119 TIP3 H2 0.67351 14.71472 0.61780 SOLV 1201 0.61780 4024 1120 TIP3 OH2 -7.44690 13.00077 1.69507 SOLV 1202 1.69507 4025 1120 TIP3 H1 -7.43414 13.08062 0.72784 SOLV 1202 0.72784 4026 1120 TIP3 H2 -6.58171 12.62306 1.91754 SOLV 1202 1.91754 4027 1121 TIP3 OH2 6.85734 13.40736 1.85451 SOLV 1203 1.85451 4028 1121 TIP3 H1 7.49332 14.09826 1.85663 SOLV 1203 1.85663 4029 1121 TIP3 H2 6.95026 12.95991 2.67008 SOLV 1203 2.67008 4030 1122 TIP3 OH2 2.83964 9.40558 2.36786 SOLV 1204 2.36786 4031 1122 TIP3 H1 2.59653 10.34873 2.09716 SOLV 1204 2.09716 4032 1122 TIP3 H2 3.41949 9.65200 3.12365 SOLV 1204 3.12365 4033 1123 TIP3 OH2 -8.23592 13.43461 8.27698 SOLV 1205 8.27698 4034 1123 TIP3 H1 -7.30740 13.62028 8.13469 SOLV 1205 8.13469 4035 1123 TIP3 H2 -8.60853 13.33669 7.38819 SOLV 1205 7.38819 4036 1124 TIP3 OH2 -4.78408 12.38659 -3.36842 SOLV 1206 -3.36842 4037 1124 TIP3 H1 -4.74115 11.75660 -4.07814 SOLV 1206 -4.07814 4038 1124 TIP3 H2 -5.75214 12.18537 -3.27368 SOLV 1206 -3.27368 4039 1125 TIP3 OH2 0.14663 17.10828 -9.05665 SOLV 1207 -9.05665 4040 1125 TIP3 H1 0.61678 16.27848 -9.36568 SOLV 1207 -9.36568 4041 1125 TIP3 H2 -0.70175 16.75225 -9.04090 SOLV 1207 -9.04090 4042 1126 TIP3 OH2 3.99076 11.22576 7.31190 SOLV 1208 7.31190 4043 1126 TIP3 H1 3.27060 10.59657 7.64958 SOLV 1208 7.64958 4044 1126 TIP3 H2 3.94669 11.02850 6.38537 SOLV 1208 6.38537 4045 1127 TIP3 OH2 -1.31545 14.34266 4.68983 SOLV 1209 4.68983 4046 1127 TIP3 H1 -2.18089 14.25338 4.17236 SOLV 1209 4.17236 4047 1127 TIP3 H2 -0.96133 13.40051 4.59347 SOLV 1209 4.59347 4048 1128 TIP3 OH2 -0.14068 14.28043 -6.79403 SOLV 1210 -6.79403 4049 1128 TIP3 H1 -0.49724 13.38829 -6.57339 SOLV 1210 -6.57339 4050 1128 TIP3 H2 -0.76719 14.50558 -7.49560 SOLV 1210 -7.49560 4051 1129 TIP3 OH2 3.74399 9.97042 -4.97909 SOLV 1211 -4.97909 4052 1129 TIP3 H1 3.18632 9.36883 -5.49601 SOLV 1211 -5.49601 4053 1129 TIP3 H2 3.26482 9.88658 -4.12530 SOLV 1211 -4.12530 4054 1130 TIP3 OH2 7.69096 10.50348 -2.38996 SOLV 1212 -2.38996 4055 1130 TIP3 H1 8.40452 11.01933 -2.66199 SOLV 1212 -2.66199 4056 1130 TIP3 H2 7.41752 10.10019 -3.23953 SOLV 1212 -3.23953 4057 1131 TIP3 OH2 7.16346 9.46857 -5.17726 SOLV 1213 -5.17726 4058 1131 TIP3 H1 7.14589 10.22095 -5.85762 SOLV 1213 -5.85762 4059 1131 TIP3 H2 6.27733 9.65152 -4.87719 SOLV 1213 -4.87719 4060 1132 TIP3 OH2 0.52265 17.93807 -2.35296 SOLV 1214 -2.35296 4061 1132 TIP3 H1 1.16419 18.38756 -2.96884 SOLV 1214 -2.96884 4062 1132 TIP3 H2 0.98203 17.98362 -1.48200 SOLV 1214 -1.48200 4063 1133 TIP3 OH2 5.41141 16.75361 6.01193 SOLV 1215 6.01193 4064 1133 TIP3 H1 5.65484 17.56281 6.50377 SOLV 1215 6.50377 4065 1133 TIP3 H2 4.47066 16.83914 6.05908 SOLV 1215 6.05908 4066 1134 TIP3 OH2 -3.30309 11.56428 -0.91240 SOLV 1216 -0.91240 4067 1134 TIP3 H1 -3.87120 10.76636 -0.86507 SOLV 1216 -0.86507 4068 1134 TIP3 H2 -3.36795 11.76050 -1.86117 SOLV 1216 -1.86117 4069 1135 TIP3 OH2 -5.07531 11.64867 1.99151 SOLV 1217 1.99151 4070 1135 TIP3 H1 -4.28579 11.14091 2.39199 SOLV 1217 2.39199 4071 1135 TIP3 H2 -4.54856 12.10940 1.36547 SOLV 1217 1.36547 4072 1136 TIP3 OH2 -5.66691 10.36668 7.87215 SOLV 1218 7.87215 4073 1136 TIP3 H1 -5.70352 10.97408 7.14547 SOLV 1218 7.14547 4074 1136 TIP3 H2 -5.63052 9.55675 7.38089 SOLV 1218 7.38089 4075 1137 TIP3 OH2 7.14871 16.80766 3.71185 SOLV 1219 3.71185 4076 1137 TIP3 H1 6.72474 17.32173 4.41528 SOLV 1219 4.41528 4077 1137 TIP3 H2 8.07892 16.84313 4.08596 SOLV 1219 4.08596 4078 1138 TIP3 OH2 6.56503 13.85468 7.95186 SOLV 1220 7.95186 4079 1138 TIP3 H1 7.13990 13.37130 8.51006 SOLV 1220 8.51006 4080 1138 TIP3 H2 6.69488 14.77636 8.30046 SOLV 1220 8.30046 4081 1139 TIP3 OH2 -4.95797 17.80279 8.66518 SOLV 1221 8.66518 4082 1139 TIP3 H1 -5.62465 18.13399 9.30855 SOLV 1221 9.30855 4083 1139 TIP3 H2 -5.01724 16.88612 8.76676 SOLV 1221 8.76676 4084 1140 TIP3 OH2 8.58352 15.23119 -1.83882 SOLV 1222 -1.83882 4085 1140 TIP3 H1 8.61637 15.84774 -1.09225 SOLV 1222 -1.09225 4086 1140 TIP3 H2 9.45340 14.92468 -1.90677 SOLV 1222 -1.90677 4087 1141 TIP3 OH2 1.45710 12.31914 -8.45226 SOLV 1223 -8.45226 4088 1141 TIP3 H1 1.11304 12.66201 -7.57083 SOLV 1223 -7.57083 4089 1141 TIP3 H2 2.41953 12.36479 -8.14402 SOLV 1223 -8.14402 4090 1142 TIP3 OH2 4.98760 9.25908 0.18750 SOLV 1224 0.18750 4091 1142 TIP3 H1 4.80891 10.25533 0.17378 SOLV 1224 0.17378 4092 1142 TIP3 H2 4.48062 9.11101 0.95805 SOLV 1224 0.95805 4093 1143 TIP3 OH2 1.38019 15.17223 8.35065 SOLV 1225 8.35065 4094 1143 TIP3 H1 2.16322 14.58155 8.44120 SOLV 1225 8.44120 4095 1143 TIP3 H2 1.54222 15.37352 7.41017 SOLV 1225 7.41017 4096 1144 TIP3 OH2 9.25240 13.46030 5.79789 SOLV 1226 5.79789 4097 1144 TIP3 H1 9.50584 12.78092 5.20020 SOLV 1226 5.20020 4098 1144 TIP3 H2 8.28824 13.65623 5.45375 SOLV 1226 5.45375 4099 1145 TIP3 OH2 5.32512 13.46290 -4.70814 SOLV 1227 -4.70814 4100 1145 TIP3 H1 4.73267 14.20145 -4.70603 SOLV 1227 -4.70603 4101 1145 TIP3 H2 5.21282 13.09605 -5.64573 SOLV 1227 -5.64573 4102 1146 TIP3 OH2 6.65376 17.03141 -2.96171 SOLV 1228 -2.96171 4103 1146 TIP3 H1 7.49707 16.55682 -3.10770 SOLV 1228 -3.10770 4104 1146 TIP3 H2 7.06181 17.66852 -2.37398 SOLV 1228 -2.37398 4105 1147 TIP3 OH2 -0.30908 10.17249 -3.15131 SOLV 1229 -3.15131 4106 1147 TIP3 H1 -0.53515 9.22301 -2.90255 SOLV 1229 -2.90255 4107 1147 TIP3 H2 0.62562 10.18879 -2.85402 SOLV 1229 -2.85402 4108 1148 TIP3 OH2 8.27886 17.57006 -5.78339 SOLV 1230 -5.78339 4109 1148 TIP3 H1 8.51799 17.67123 -6.66676 SOLV 1230 -6.66676 4110 1148 TIP3 H2 9.10293 17.28108 -5.35816 SOLV 1230 -5.35816 4111 1149 TIP3 OH2 -1.11786 15.81177 -1.85043 SOLV 1231 -1.85043 4112 1149 TIP3 H1 -0.68925 15.26809 -1.11573 SOLV 1231 -1.11573 4113 1149 TIP3 H2 -0.59920 16.64823 -1.82169 SOLV 1231 -1.82169 4114 1150 TIP3 OH2 7.64722 12.03509 -6.55872 SOLV 1232 -6.55872 4115 1150 TIP3 H1 7.95316 11.55759 -7.40708 SOLV 1232 -7.40708 4116 1150 TIP3 H2 7.50164 12.84798 -7.02448 SOLV 1232 -7.02448 4117 1151 TIP3 OH2 -5.56453 14.42479 7.82673 SOLV 1233 7.82673 4118 1151 TIP3 H1 -4.62338 14.09305 7.77328 SOLV 1233 7.77328 4119 1151 TIP3 H2 -5.51391 14.92857 6.99464 SOLV 1233 6.99464 4120 1152 TIP3 OH2 0.81914 9.88492 -9.42202 SOLV 1234 -9.42202 4121 1152 TIP3 H1 0.48099 9.39109 -8.62933 SOLV 1234 -8.62933 4122 1152 TIP3 H2 0.77191 10.75493 -9.06161 SOLV 1234 -9.06161 4123 1153 TIP3 OH2 5.57822 10.97515 9.54858 SOLV 1235 9.54858 4124 1153 TIP3 H1 5.22120 11.00635 8.63523 SOLV 1235 8.63523 4125 1153 TIP3 H2 6.06462 10.13483 9.55010 SOLV 1235 9.55010 4126 1154 TIP3 OH2 2.82513 15.29501 5.51938 SOLV 1236 5.51938 4127 1154 TIP3 H1 3.40074 14.92074 6.22292 SOLV 1236 6.22292 4128 1154 TIP3 H2 3.46782 15.50837 4.80840 SOLV 1236 4.80840 4129 1155 TIP3 OH2 -7.23353 15.36615 -5.07511 SOLV 1237 -5.07511 4130 1155 TIP3 H1 -6.60832 15.00463 -5.69241 SOLV 1237 -5.69241 4131 1155 TIP3 H2 -7.87195 14.79069 -5.18589 SOLV 1237 -5.18589 4132 1156 TIP3 OH2 7.30058 16.41612 9.02354 SOLV 1238 9.02354 4133 1156 TIP3 H1 7.72004 16.94986 9.63968 SOLV 1238 9.63968 4134 1156 TIP3 H2 8.10418 16.32019 8.47147 SOLV 1238 8.47147 4135 1157 TIP3 OH2 -5.33045 16.50591 -3.55422 SOLV 1239 -3.55422 4136 1157 TIP3 H1 -5.75816 17.01330 -2.91816 SOLV 1239 -2.91816 4137 1157 TIP3 H2 -5.93710 15.73784 -3.84638 SOLV 1239 -3.84638 4138 1158 TIP3 OH2 -2.24436 16.01432 -8.41119 SOLV 1240 -8.41119 4139 1158 TIP3 H1 -2.38640 16.88990 -7.99651 SOLV 1240 -7.99651 4140 1158 TIP3 H2 -2.66002 15.40691 -7.76713 SOLV 1240 -7.76713 4141 1159 TIP3 OH2 6.20590 12.24780 -0.57975 SOLV 1241 -0.57975 4142 1159 TIP3 H1 6.80722 11.81642 -1.20238 SOLV 1241 -1.20238 4143 1159 TIP3 H2 6.68240 13.00976 -0.35564 SOLV 1241 -0.35564 4144 1160 TIP3 OH2 -1.00965 16.73491 2.19125 SOLV 1242 2.19125 4145 1160 TIP3 H1 -0.08381 16.79959 2.48236 SOLV 1242 2.48236 4146 1160 TIP3 H2 -1.01196 16.05202 1.48445 SOLV 1242 1.48445 4147 1161 TIP3 OH2 3.69952 13.87079 7.73643 SOLV 1243 7.73643 4148 1161 TIP3 H1 3.76787 12.89773 7.66704 SOLV 1243 7.66704 4149 1161 TIP3 H2 4.68638 14.01943 7.81122 SOLV 1243 7.81122 4150 1162 TIP3 OH2 -3.62618 13.69499 -6.86148 SOLV 1244 -6.86148 4151 1162 TIP3 H1 -4.58603 13.87921 -7.06761 SOLV 1244 -7.06761 4152 1162 TIP3 H2 -3.49174 12.83997 -7.36225 SOLV 1244 -7.36225 4153 1163 TIP3 OH2 -8.32463 17.69735 -3.63325 SOLV 1245 -3.63325 4154 1163 TIP3 H1 -8.00418 16.84018 -4.07023 SOLV 1245 -4.07023 4155 1163 TIP3 H2 -7.72384 17.67708 -2.87059 SOLV 1245 -2.87059 4156 1164 TIP3 OH2 -3.43335 17.80512 -1.28253 SOLV 1246 -1.28253 4157 1164 TIP3 H1 -3.73175 18.57884 -1.73507 SOLV 1246 -1.73507 4158 1164 TIP3 H2 -3.20690 18.12768 -0.39205 SOLV 1246 -0.39205 4159 1165 TIP3 OH2 -3.03595 14.41456 -4.17028 SOLV 1247 -4.17028 4160 1165 TIP3 H1 -3.79243 13.88442 -3.93495 SOLV 1247 -3.93495 4161 1165 TIP3 H2 -3.05724 14.33491 -5.19134 SOLV 1247 -5.19134 4162 1166 TIP3 OH2 -6.53508 9.43009 -8.16876 SOLV 1248 -8.16876 4163 1166 TIP3 H1 -7.23909 10.07749 -8.47016 SOLV 1248 -8.47016 4164 1166 TIP3 H2 -6.17562 9.30587 -9.06458 SOLV 1248 -9.06458 4165 1167 TIP3 OH2 0.32913 16.49900 5.21960 SOLV 1249 5.21960 4166 1167 TIP3 H1 -0.32883 15.80556 5.45588 SOLV 1249 5.45588 4167 1167 TIP3 H2 1.02569 16.03242 4.93201 SOLV 1249 4.93201 4168 1168 TIP3 OH2 -1.47979 9.66144 0.64749 SOLV 1250 0.64749 4169 1168 TIP3 H1 -0.64633 10.03515 0.25234 SOLV 1250 0.25234 4170 1168 TIP3 H2 -2.15583 10.30293 0.22899 SOLV 1250 0.22899 4171 1169 TIP3 OH2 -8.29045 10.60266 -0.24201 SOLV 1251 -0.24201 4172 1169 TIP3 H1 -7.93325 10.55423 0.61937 SOLV 1251 0.61937 4173 1169 TIP3 H2 -9.21806 10.62530 0.04072 SOLV 1251 0.04072 4174 1170 TIP3 OH2 -6.74866 17.63441 -1.35305 SOLV 1252 -1.35305 4175 1170 TIP3 H1 -7.62404 17.36491 -1.04078 SOLV 1252 -1.04078 4176 1170 TIP3 H2 -6.32343 17.94889 -0.57985 SOLV 1252 -0.57985 4177 1171 TIP3 OH2 3.72761 11.81329 0.87746 SOLV 1253 0.87746 4178 1171 TIP3 H1 4.12493 12.29694 1.62148 SOLV 1253 1.62148 4179 1171 TIP3 H2 4.04543 12.30541 0.12611 SOLV 1253 0.12611 4180 1172 TIP3 OH2 0.67205 16.87603 -6.00410 SOLV 1254 -6.00410 4181 1172 TIP3 H1 0.34116 16.75414 -6.87826 SOLV 1254 -6.87826 4182 1172 TIP3 H2 0.75642 17.82931 -6.03905 SOLV 1254 -6.03905 4183 1173 TIP3 OH2 4.38029 11.91433 -2.47979 SOLV 1255 -2.47979 4184 1173 TIP3 H1 5.00769 12.08642 -1.77225 SOLV 1255 -1.77225 4185 1173 TIP3 H2 4.93681 12.19202 -3.24340 SOLV 1255 -3.24340 4186 1174 TIP3 OH2 1.57375 12.51575 5.67838 SOLV 1256 5.67838 4187 1174 TIP3 H1 2.26024 12.40119 4.97521 SOLV 1256 4.97521 4188 1174 TIP3 H2 1.88096 13.39632 5.87131 SOLV 1256 5.87131 4189 1175 TIP3 OH2 4.30512 9.83303 4.59754 SOLV 1257 4.59754 4190 1175 TIP3 H1 5.23611 9.90536 4.30762 SOLV 1257 4.30762 4191 1175 TIP3 H2 4.33417 9.19768 5.33684 SOLV 1257 5.33684 4192 1176 TIP3 OH2 -9.13087 16.32977 4.86424 SOLV 1258 4.86424 4193 1176 TIP3 H1 -8.30408 16.75467 5.07590 SOLV 1258 5.07590 4194 1176 TIP3 H2 -9.08662 15.66468 5.53421 SOLV 1258 5.53421 4195 1177 TIP3 OH2 3.82010 12.46862 4.02389 SOLV 1259 4.02389 4196 1177 TIP3 H1 4.59217 12.88878 4.44871 SOLV 1259 4.44871 4197 1177 TIP3 H2 4.07517 11.49663 4.05166 SOLV 1259 4.05166 4198 1178 TIP3 OH2 -0.49519 12.48104 -0.98536 SOLV 1260 -0.98536 4199 1178 TIP3 H1 -0.01067 11.94936 -1.66264 SOLV 1260 -1.66264 4200 1178 TIP3 H2 -1.39744 12.12956 -1.03727 SOLV 1260 -1.03727 4201 1179 TIP3 OH2 -7.25912 10.05368 2.52399 SOLV 1261 2.52399 4202 1179 TIP3 H1 -6.46995 10.58774 2.62742 SOLV 1261 2.62742 4203 1179 TIP3 H2 -6.80741 9.18187 2.28887 SOLV 1261 2.28887 4204 1180 TIP3 OH2 4.03061 12.22329 -7.28060 SOLV 1262 -7.28060 4205 1180 TIP3 H1 4.71339 11.76513 -7.83076 SOLV 1262 -7.83076 4206 1180 TIP3 H2 3.77041 11.50276 -6.66431 SOLV 1262 -6.66431 4207 1181 TIP3 OH2 -4.90792 10.52043 -5.42020 SOLV 1263 -5.42020 4208 1181 TIP3 H1 -4.20134 9.89621 -5.18236 SOLV 1263 -5.18236 4209 1181 TIP3 H2 -4.61414 10.76918 -6.31160 SOLV 1263 -6.31160 4210 1182 TIP3 OH2 2.92149 15.90832 -3.83632 SOLV 1264 -3.83632 4211 1182 TIP3 H1 2.86565 16.86657 -3.85291 SOLV 1264 -3.85291 4212 1182 TIP3 H2 3.46993 15.80079 -2.97587 SOLV 1264 -2.97587 4213 1183 TIP3 OH2 2.38178 10.33447 -2.56517 SOLV 1265 -2.56517 4214 1183 TIP3 H1 2.19556 9.91155 -1.65727 SOLV 1265 -1.65727 4215 1183 TIP3 H2 3.10749 10.94649 -2.24562 SOLV 1265 -2.24562 4216 1184 TIP3 OH2 8.49669 14.13044 -8.07454 SOLV 1266 -8.07454 4217 1184 TIP3 H1 8.49983 15.05968 -7.93925 SOLV 1266 -7.93925 4218 1184 TIP3 H2 9.09209 13.95906 -8.81530 SOLV 1266 -8.81530 4219 1185 TIP3 OH2 0.15268 11.78915 -5.81098 SOLV 1267 -5.81098 4220 1185 TIP3 H1 1.05051 11.86424 -5.40725 SOLV 1267 -5.40725 4221 1185 TIP3 H2 -0.08950 10.82622 -5.84229 SOLV 1267 -5.84229 4222 1186 TIP3 OH2 -7.53056 14.41936 -1.08113 SOLV 1268 -1.08113 4223 1186 TIP3 H1 -7.59601 13.59789 -1.54567 SOLV 1268 -1.54567 4224 1186 TIP3 H2 -6.57810 14.66499 -1.19418 SOLV 1268 -1.19418 4225 1187 TIP3 OH2 -4.70129 14.45009 -1.63530 SOLV 1269 -1.63530 4226 1187 TIP3 H1 -4.14505 13.92690 -0.99814 SOLV 1269 -0.99814 4227 1187 TIP3 H2 -4.75924 13.81260 -2.38745 SOLV 1269 -2.38745 4228 1188 TIP3 OH2 -7.22669 11.71141 -6.12904 SOLV 1270 -6.12904 4229 1188 TIP3 H1 -7.71252 10.89285 -6.45894 SOLV 1270 -6.45894 4230 1188 TIP3 H2 -6.40422 11.30453 -5.81645 SOLV 1270 -5.81645 4231 1189 TIP3 OH2 -9.06682 16.74052 0.10949 SOLV 1271 0.10949 4232 1189 TIP3 H1 -8.96111 15.88908 0.50061 SOLV 1271 0.50061 4233 1189 TIP3 H2 -8.88701 17.32089 0.96675 SOLV 1271 0.96675 4234 1190 TIP3 OH2 5.88240 13.92143 5.29077 SOLV 1272 5.29077 4235 1190 TIP3 H1 5.98384 14.90993 5.32102 SOLV 1272 5.32102 4236 1190 TIP3 H2 6.14035 13.62598 6.16455 SOLV 1272 6.16455 4237 1191 TIP3 OH2 5.03738 15.13672 0.56836 SOLV 1273 0.56836 4238 1191 TIP3 H1 5.00417 15.32820 -0.37638 SOLV 1273 -0.37638 4239 1191 TIP3 H2 5.85215 14.62905 0.59099 SOLV 1273 0.59099 4240 1192 TIP3 OH2 8.93792 12.22172 -4.11513 SOLV 1274 -4.11513 4241 1192 TIP3 H1 8.96695 11.85905 -5.07533 SOLV 1274 -5.07533 4242 1192 TIP3 H2 8.24791 12.91054 -4.13853 SOLV 1274 -4.13853 4243 1193 TIP3 OH2 -1.77651 17.61998 -4.08455 SOLV 1275 -4.08455 4244 1193 TIP3 H1 -1.05506 18.07201 -3.58595 SOLV 1275 -3.58595 4245 1193 TIP3 H2 -1.32188 16.95788 -4.60975 SOLV 1275 -4.60975 4246 1194 TIP3 OH2 -4.23668 11.30861 -8.27265 SOLV 1276 -8.27265 4247 1194 TIP3 H1 -4.08136 11.45037 -9.21183 SOLV 1276 -9.21183 4248 1194 TIP3 H2 -4.96168 10.65721 -8.36018 SOLV 1276 -8.36018 4249 1195 TIP3 OH2 -0.91742 11.30431 5.14648 SOLV 1277 5.14648 4250 1195 TIP3 H1 -0.02025 11.40208 5.53006 SOLV 1277 5.53006 4251 1195 TIP3 H2 -1.36921 11.47119 5.96770 SOLV 1277 5.96770 4252 1196 TIP3 OH2 -2.69495 14.91240 7.82320 SOLV 1278 7.82320 4253 1196 TIP3 H1 -2.69557 15.17589 8.79029 SOLV 1278 8.79029 4254 1196 TIP3 H2 -2.02494 14.17161 7.70408 SOLV 1278 7.70408 4255 1197 TIP3 OH2 -2.11487 9.38665 -7.93210 SOLV 1279 -7.93210 4256 1197 TIP3 H1 -2.68680 10.17867 -7.94094 SOLV 1279 -7.94094 4257 1197 TIP3 H2 -2.04165 9.12228 -6.94032 SOLV 1279 -6.94032 4258 1198 TIP3 OH2 4.92308 15.33170 -2.03847 SOLV 1280 -2.03847 4259 1198 TIP3 H1 4.98130 14.51423 -2.54169 SOLV 1280 -2.54169 4260 1198 TIP3 H2 5.70478 15.85462 -2.35422 SOLV 1280 -2.35422 4261 1199 SOD SOD -3.21138 16.22040 -2.65820 SOLV 1281 -2.65820 4262 1200 SOD SOD 1.51232 14.88626 -5.40347 SOLV 1282 -5.40347 4263 1201 TIP3 OH2 -28.04120 -10.77968 14.38631 SOLV 1283 14.38631 4264 1201 TIP3 H1 -27.74371 -11.12602 13.51557 SOLV 1283 13.51557 4265 1201 TIP3 H2 -28.77250 -10.22780 14.11448 SOLV 1283 14.11448 4266 1202 TIP3 OH2 -29.62865 -14.76884 9.48976 SOLV 1284 9.48976 4267 1202 TIP3 H1 -30.31793 -14.72919 8.82407 SOLV 1284 8.82407 4268 1202 TIP3 H2 -29.97118 -14.17661 10.18185 SOLV 1284 10.18185 4269 1203 TIP3 OH2 -28.26777 -11.63218 10.27964 SOLV 1285 10.27964 4270 1203 TIP3 H1 -28.86967 -12.02412 10.90631 SOLV 1285 10.90631 4271 1203 TIP3 H2 -27.48708 -11.44941 10.84167 SOLV 1285 10.84167 4272 1204 TIP3 OH2 -28.75390 -17.35984 14.69107 SOLV 1286 14.69107 4273 1204 TIP3 H1 -28.74514 -17.80390 15.59859 SOLV 1286 15.59859 4274 1204 TIP3 H2 -27.95619 -17.77982 14.42173 SOLV 1286 14.42173 4275 1205 TIP3 OH2 -28.49264 -16.63134 11.31861 SOLV 1287 11.31861 4276 1205 TIP3 H1 -27.57119 -16.65330 11.72594 SOLV 1287 11.72594 4277 1205 TIP3 H2 -28.28748 -15.98288 10.62906 SOLV 1287 10.62906 4278 1206 TIP3 OH2 -29.26045 -15.36822 16.82881 SOLV 1288 16.82881 4279 1206 TIP3 H1 -29.36264 -15.52096 15.86029 SOLV 1288 15.86029 4280 1206 TIP3 H2 -28.75177 -16.17430 16.98463 SOLV 1288 16.98463 4281 1207 TIP3 OH2 -28.60079 -12.47207 16.28581 SOLV 1289 16.28581 4282 1207 TIP3 H1 -29.27034 -11.93722 16.73936 SOLV 1289 16.73936 4283 1207 TIP3 H2 -28.25031 -11.84791 15.65262 SOLV 1289 15.65262 4284 1208 TIP3 OH2 -28.95117 -13.70165 13.65104 SOLV 1290 13.65104 4285 1208 TIP3 H1 -28.26184 -14.34281 13.49836 SOLV 1290 13.49836 4286 1208 TIP3 H2 -28.69735 -13.34420 14.52417 SOLV 1290 14.52417 4287 1209 TIP3 OH2 -28.04120 7.87379 14.38631 SOLV 1291 14.38631 4288 1209 TIP3 H1 -27.74371 7.52745 13.51557 SOLV 1291 13.51557 4289 1209 TIP3 H2 -28.77250 8.42567 14.11448 SOLV 1291 14.11448 4290 1210 TIP3 OH2 -29.62865 3.88463 9.48976 SOLV 1292 9.48976 4291 1210 TIP3 H1 -30.31793 3.92428 8.82407 SOLV 1292 8.82407 4292 1210 TIP3 H2 -29.97118 4.47686 10.18185 SOLV 1292 10.18185 4293 1211 TIP3 OH2 -28.38767 -0.46554 10.22875 SOLV 1293 10.22875 4294 1211 TIP3 H1 -28.66382 0.23254 10.77927 SOLV 1293 10.77927 4295 1211 TIP3 H2 -27.82893 -0.04733 9.50909 SOLV 1293 9.50909 4296 1212 TIP3 OH2 -29.61598 -8.14999 16.26351 SOLV 1294 16.26351 4297 1212 TIP3 H1 -28.90242 -7.63414 15.99148 SOLV 1294 15.99148 4298 1212 TIP3 H2 -29.88942 -8.55328 15.41394 SOLV 1294 15.41394 4299 1213 TIP3 OH2 -28.26777 7.02129 10.27964 SOLV 1295 10.27964 4300 1213 TIP3 H1 -28.86967 6.62935 10.90631 SOLV 1295 10.90631 4301 1213 TIP3 H2 -27.48708 7.20406 10.84167 SOLV 1295 10.84167 4302 1214 TIP3 OH2 -28.72342 -3.42228 16.81465 SOLV 1296 16.81465 4303 1214 TIP3 H1 -28.69057 -2.80573 17.56122 SOLV 1296 17.56122 4304 1214 TIP3 H2 -27.85354 -3.72879 16.74670 SOLV 1296 16.74670 4305 1215 TIP3 OH2 -29.02808 -1.08341 12.87008 SOLV 1297 12.87008 4306 1215 TIP3 H1 -28.78895 -0.98224 11.98671 SOLV 1297 11.98671 4307 1215 TIP3 H2 -28.20401 -1.37239 13.29531 SOLV 1297 13.29531 4308 1216 TIP3 OH2 -29.65972 -6.61838 12.09475 SOLV 1298 12.09475 4309 1216 TIP3 H1 -29.35378 -7.09588 11.24639 SOLV 1298 11.24639 4310 1216 TIP3 H2 -29.80530 -5.80549 11.62899 SOLV 1298 11.62899 4311 1217 TIP3 OH2 -29.20839 0.00206 17.30640 SOLV 1299 17.30640 4312 1217 TIP3 H1 -29.54646 0.33722 18.17568 SOLV 1299 18.17568 4313 1217 TIP3 H2 -28.25308 0.01565 17.54959 SOLV 1299 17.54959 4314 1218 TIP3 OH2 -28.75390 1.29363 14.69107 SOLV 1300 14.69107 4315 1218 TIP3 H1 -28.74514 0.84957 15.59859 SOLV 1300 15.59859 4316 1218 TIP3 H2 -27.95619 0.87365 14.42173 SOLV 1300 14.42173 4317 1219 TIP3 OH2 -28.49264 2.02213 11.31861 SOLV 1301 11.31861 4318 1219 TIP3 H1 -27.57119 2.00017 11.72594 SOLV 1301 11.72594 4319 1219 TIP3 H2 -28.28748 2.67059 10.62906 SOLV 1301 10.62906 4320 1220 TIP3 OH2 -29.26045 3.28525 16.82881 SOLV 1302 16.82881 4321 1220 TIP3 H1 -29.36264 3.13251 15.86029 SOLV 1302 15.86029 4322 1220 TIP3 H2 -28.75177 2.47917 16.98463 SOLV 1302 16.98463 4323 1221 TIP3 OH2 -28.60079 6.18140 16.28581 SOLV 1303 16.28581 4324 1221 TIP3 H1 -29.27034 6.71625 16.73936 SOLV 1303 16.73936 4325 1221 TIP3 H2 -28.25031 6.80556 15.65262 SOLV 1303 15.65262 4326 1222 TIP3 OH2 -28.81025 -4.52303 10.57893 SOLV 1304 10.57893 4327 1222 TIP3 H1 -28.80711 -3.59379 10.71422 SOLV 1304 10.71422 4328 1222 TIP3 H2 -28.21485 -4.69441 9.83817 SOLV 1304 9.83817 4329 1223 TIP3 OH2 -28.95117 4.95182 13.65104 SOLV 1305 13.65104 4330 1223 TIP3 H1 -28.26184 4.31066 13.49836 SOLV 1305 13.49836 4331 1223 TIP3 H2 -28.69735 5.30927 14.52417 SOLV 1305 14.52417 4332 1224 TIP3 OH2 -28.36902 -6.43175 14.53834 SOLV 1306 14.53834 4333 1224 TIP3 H1 -28.33999 -6.79442 13.57814 SOLV 1306 13.57814 4334 1224 TIP3 H2 -29.05903 -5.74293 14.51494 SOLV 1306 14.51494 4335 1225 TIP3 OH2 -29.61598 10.50348 16.26351 SOLV 1307 16.26351 4336 1225 TIP3 H1 -28.90242 11.01933 15.99148 SOLV 1307 15.99148 4337 1225 TIP3 H2 -29.88942 10.10019 15.41394 SOLV 1307 15.41394 4338 1226 TIP3 OH2 -28.72342 15.23119 16.81465 SOLV 1308 16.81465 4339 1226 TIP3 H1 -28.69057 15.84774 17.56122 SOLV 1308 17.56122 4340 1226 TIP3 H2 -27.85354 14.92468 16.74670 SOLV 1308 16.74670 4341 1227 TIP3 OH2 -29.02808 17.57006 12.87008 SOLV 1309 12.87008 4342 1227 TIP3 H1 -28.78895 17.67123 11.98671 SOLV 1309 11.98671 4343 1227 TIP3 H2 -28.20401 17.28108 13.29531 SOLV 1309 13.29531 4344 1228 TIP3 OH2 -29.65972 12.03509 12.09475 SOLV 1310 12.09475 4345 1228 TIP3 H1 -29.35378 11.55759 11.24639 SOLV 1310 11.24639 4346 1228 TIP3 H2 -29.80530 12.84798 11.62899 SOLV 1310 11.62899 4347 1229 TIP3 OH2 -28.81025 14.13044 10.57893 SOLV 1311 10.57893 4348 1229 TIP3 H1 -28.80711 15.05968 10.71422 SOLV 1311 10.71422 4349 1229 TIP3 H2 -28.21485 13.95906 9.83817 SOLV 1311 9.83817 4350 1230 TIP3 OH2 -28.36902 12.22172 14.53834 SOLV 1312 14.53834 4351 1230 TIP3 H1 -28.33999 11.85905 13.57814 SOLV 1312 13.57814 4352 1230 TIP3 H2 -29.05903 12.91054 14.51494 SOLV 1312 14.51494 4353 1231 TIP3 OH2 -17.45882 -15.14591 10.74676 SOLV 1313 10.74676 4354 1231 TIP3 H1 -16.95525 -14.62924 11.42267 SOLV 1313 11.42267 4355 1231 TIP3 H2 -16.98282 -14.91230 9.94021 SOLV 1313 9.94021 4356 1232 TIP3 OH2 -20.98839 -17.01567 8.93937 SOLV 1314 8.93937 4357 1232 TIP3 H1 -20.70410 -16.53071 9.72625 SOLV 1314 9.72625 4358 1232 TIP3 H2 -21.41139 -17.91965 9.24624 SOLV 1314 9.24624 4359 1233 TIP3 OH2 -18.93698 -11.06676 15.99094 SOLV 1315 15.99094 4360 1233 TIP3 H1 -19.80695 -11.38899 16.29792 SOLV 1315 16.29792 4361 1233 TIP3 H2 -18.30534 -11.35595 16.72198 SOLV 1315 16.72198 4362 1234 TIP3 OH2 -20.04535 -15.83520 11.19967 SOLV 1316 11.19967 4363 1234 TIP3 H1 -19.90577 -15.43310 12.09791 SOLV 1316 12.09791 4364 1234 TIP3 H2 -19.05856 -15.61347 11.06180 SOLV 1316 11.06180 4365 1235 TIP3 OH2 -26.86466 -17.09527 17.46866 SOLV 1317 17.46866 4366 1235 TIP3 H1 -26.82112 -16.22401 17.58978 SOLV 1317 17.58978 4367 1235 TIP3 H2 -25.94999 -17.33411 17.30927 SOLV 1317 17.30927 4368 1236 TIP3 OH2 -26.07258 -16.19956 12.07788 SOLV 1318 12.07788 4369 1236 TIP3 H1 -26.27094 -15.96793 12.99352 SOLV 1318 12.99352 4370 1236 TIP3 H2 -25.45730 -15.42120 12.00039 SOLV 1318 12.00039 4371 1237 TIP3 OH2 -9.38773 -10.77968 14.38631 SOLV 1319 14.38631 4372 1237 TIP3 H1 -9.09024 -11.12602 13.51557 SOLV 1319 13.51557 4373 1237 TIP3 H2 -10.11903 -10.22780 14.11448 SOLV 1319 14.11448 4374 1238 TIP3 OH2 -26.13337 -11.39923 11.80890 SOLV 1320 11.80890 4375 1238 TIP3 H1 -25.80181 -10.71645 11.26949 SOLV 1320 11.26949 4376 1238 TIP3 H2 -25.31475 -11.92896 11.87018 SOLV 1320 11.87018 4377 1239 TIP3 OH2 -10.97518 -14.76884 9.48976 SOLV 1321 9.48976 4378 1239 TIP3 H1 -11.66446 -14.72919 8.82407 SOLV 1321 8.82407 4379 1239 TIP3 H2 -11.31771 -14.17661 10.18185 SOLV 1321 10.18185 4380 1240 TIP3 OH2 -19.11086 -15.42048 17.89451 SOLV 1322 17.89451 4381 1240 TIP3 H1 -20.00174 -15.41454 17.51091 SOLV 1322 17.51091 4382 1240 TIP3 H2 -19.34236 -14.99768 18.75086 SOLV 1322 18.75086 4383 1241 TIP3 OH2 -23.19691 -11.37622 11.42666 SOLV 1323 11.42666 4384 1241 TIP3 H1 -23.69753 -10.54730 11.50281 SOLV 1323 11.50281 4385 1241 TIP3 H2 -22.48631 -11.17217 10.82581 SOLV 1323 10.82581 4386 1242 TIP3 OH2 -12.44114 -17.27037 11.67790 SOLV 1324 11.67790 4387 1242 TIP3 H1 -12.84463 -17.13627 10.81552 SOLV 1324 10.81552 4388 1242 TIP3 H2 -11.55747 -16.84559 11.53515 SOLV 1324 11.53515 4389 1243 TIP3 OH2 -19.35295 -11.63018 13.31718 SOLV 1325 13.31718 4390 1243 TIP3 H1 -19.14235 -12.55318 13.13678 SOLV 1325 13.13678 4391 1243 TIP3 H2 -18.86581 -11.42309 14.11069 SOLV 1325 14.11069 4392 1244 TIP3 OH2 -17.33417 -15.19267 15.64091 SOLV 1326 15.64091 4393 1244 TIP3 H1 -16.54843 -15.47402 16.09554 SOLV 1326 16.09554 4394 1244 TIP3 H2 -18.08430 -15.46722 16.19979 SOLV 1326 16.19979 4395 1245 TIP3 OH2 -9.61430 -11.63218 10.27964 SOLV 1327 10.27964 4396 1245 TIP3 H1 -10.21620 -12.02412 10.90631 SOLV 1327 10.90631 4397 1245 TIP3 H2 -8.83361 -11.44941 10.84167 SOLV 1327 10.84167 4398 1246 TIP3 OH2 -11.53113 -10.57194 17.78079 SOLV 1328 17.78079 4399 1246 TIP3 H1 -11.31641 -9.62928 17.45251 SOLV 1328 17.45251 4400 1246 TIP3 H2 -12.22184 -10.22603 18.47922 SOLV 1328 18.47922 4401 1247 TIP3 OH2 -13.89371 -15.22349 13.20469 SOLV 1329 13.20469 4402 1247 TIP3 H1 -14.73593 -15.50956 12.94184 SOLV 1329 12.94184 4403 1247 TIP3 H2 -13.36517 -15.73981 12.62247 SOLV 1329 12.62247 4404 1248 TIP3 OH2 -26.91415 -15.33370 14.42296 SOLV 1330 14.42296 4405 1248 TIP3 H1 -26.20691 -15.99335 14.80342 SOLV 1330 14.80342 4406 1248 TIP3 H2 -27.64341 -15.96689 14.38730 SOLV 1330 14.38730 4407 1249 TIP3 OH2 -23.18960 -17.52074 12.40379 SOLV 1331 12.40379 4408 1249 TIP3 H1 -23.08381 -17.35646 13.32488 SOLV 1331 13.32488 4409 1249 TIP3 H2 -23.15570 -16.63882 11.97661 SOLV 1331 11.97661 4410 1250 TIP3 OH2 -18.87757 -14.67031 13.34389 SOLV 1332 13.34389 4411 1250 TIP3 H1 -17.97137 -14.59578 12.90642 SOLV 1332 12.90642 4412 1250 TIP3 H2 -18.56486 -14.77088 14.27167 SOLV 1332 14.27167 4413 1251 TIP3 OH2 -25.02237 -17.30621 14.95746 SOLV 1333 14.95746 4414 1251 TIP3 H1 -24.05893 -17.15930 15.15760 SOLV 1333 15.15760 4415 1251 TIP3 H2 -25.05861 -18.13051 14.39218 SOLV 1333 14.39218 4416 1252 TIP3 OH2 -18.01121 -9.67229 11.90698 SOLV 1334 11.90698 4417 1252 TIP3 H1 -18.51197 -10.38040 12.33219 SOLV 1334 12.33219 4418 1252 TIP3 H2 -17.13928 -10.15783 11.81179 SOLV 1334 11.81179 4419 1253 TIP3 OH2 -12.96653 -17.01193 15.14814 SOLV 1335 15.14814 4420 1253 TIP3 H1 -12.93742 -16.88726 16.13122 SOLV 1335 16.13122 4421 1253 TIP3 H2 -13.23554 -16.09539 14.82183 SOLV 1335 14.82183 4422 1254 TIP3 OH2 -13.67996 -14.28516 16.47132 SOLV 1336 16.47132 4423 1254 TIP3 H1 -13.94720 -15.21816 16.78281 SOLV 1336 16.78281 4424 1254 TIP3 H2 -12.83021 -14.30929 16.85265 SOLV 1336 16.85265 4425 1255 TIP3 OH2 -15.77934 -10.90859 12.37660 SOLV 1337 12.37660 4426 1255 TIP3 H1 -15.31928 -11.37437 13.11200 SOLV 1337 13.11200 4427 1255 TIP3 H2 -15.07100 -10.90657 11.73375 SOLV 1337 11.73375 4428 1256 TIP3 OH2 -14.45105 -12.16581 14.41427 SOLV 1338 14.41427 4429 1256 TIP3 H1 -14.41105 -12.90873 14.96543 SOLV 1338 14.96543 4430 1256 TIP3 H2 -14.09426 -11.52731 15.04747 SOLV 1338 15.04747 4431 1257 TIP3 OH2 -13.64184 -11.42705 10.74387 SOLV 1339 10.74387 4432 1257 TIP3 H1 -13.01423 -10.84874 10.23930 SOLV 1339 10.23930 4433 1257 TIP3 H2 -12.97557 -12.02380 11.21147 SOLV 1339 11.21147 4434 1258 TIP3 OH2 -14.34830 -11.51223 17.23163 SOLV 1340 17.23163 4435 1258 TIP3 H1 -13.63113 -12.15157 17.17039 SOLV 1340 17.17039 4436 1258 TIP3 H2 -13.92121 -10.80507 17.70155 SOLV 1340 17.70155 4437 1259 TIP3 OH2 -24.00997 -13.37295 15.98437 SOLV 1341 15.98437 4438 1259 TIP3 H1 -24.10858 -13.13822 15.02786 SOLV 1341 15.02786 4439 1259 TIP3 H2 -23.39530 -12.66758 16.19665 SOLV 1341 16.19665 4440 1260 TIP3 OH2 -12.30061 -13.39064 11.77846 SOLV 1342 11.77846 4441 1260 TIP3 H1 -13.12701 -13.57497 12.25690 SOLV 1342 12.25690 4442 1260 TIP3 H2 -11.59462 -13.57615 12.44415 SOLV 1342 12.44415 4443 1261 TIP3 OH2 -16.20014 -13.76230 12.72370 SOLV 1343 12.72370 4444 1261 TIP3 H1 -15.67829 -13.61943 13.56824 SOLV 1343 13.56824 4445 1261 TIP3 H2 -16.34831 -12.83942 12.43503 SOLV 1343 12.43503 4446 1262 TIP3 OH2 -24.18906 -14.00143 12.20138 SOLV 1344 12.20138 4447 1262 TIP3 H1 -23.95845 -13.16334 11.87738 SOLV 1344 11.87738 4448 1262 TIP3 H2 -23.29511 -14.20343 12.56116 SOLV 1344 12.56116 4449 1263 TIP3 OH2 -10.10043 -17.35984 14.69107 SOLV 1345 14.69107 4450 1263 TIP3 H1 -10.09167 -17.80390 15.59859 SOLV 1345 15.59859 4451 1263 TIP3 H2 -9.30272 -17.77982 14.42173 SOLV 1345 14.42173 4452 1264 TIP3 OH2 -21.52698 -15.19466 16.44084 SOLV 1346 16.44084 4453 1264 TIP3 H1 -21.49773 -14.66020 15.57208 SOLV 1346 15.57208 4454 1264 TIP3 H2 -21.87417 -14.52570 16.98222 SOLV 1346 16.98222 4455 1265 TIP3 OH2 -15.64188 -17.12351 11.86792 SOLV 1347 11.86792 4456 1265 TIP3 H1 -15.18162 -17.14825 11.07050 SOLV 1347 11.07050 4457 1265 TIP3 H2 -16.53923 -16.79250 11.58672 SOLV 1347 11.58672 4458 1266 TIP3 OH2 -25.20321 -10.02763 15.95212 SOLV 1348 15.95212 4459 1266 TIP3 H1 -24.96261 -9.17063 15.61950 SOLV 1348 15.61950 4460 1266 TIP3 H2 -26.16517 -10.17571 15.64765 SOLV 1348 15.64765 4461 1267 TIP3 OH2 -9.83917 -16.63134 11.31861 SOLV 1349 11.31861 4462 1267 TIP3 H1 -8.91772 -16.65330 11.72594 SOLV 1349 11.72594 4463 1267 TIP3 H2 -9.63401 -15.98288 10.62906 SOLV 1349 10.62906 4464 1268 TIP3 OH2 -10.60698 -15.36822 16.82881 SOLV 1350 16.82881 4465 1268 TIP3 H1 -10.70917 -15.52096 15.86029 SOLV 1350 15.86029 4466 1268 TIP3 H2 -10.09830 -16.17430 16.98463 SOLV 1350 16.98463 4467 1269 TIP3 OH2 -21.65980 -11.53866 16.87460 SOLV 1351 16.87460 4468 1269 TIP3 H1 -22.39998 -10.91457 16.93549 SOLV 1351 16.93549 4469 1269 TIP3 H2 -21.25142 -11.49184 17.74390 SOLV 1351 17.74390 4470 1270 TIP3 OH2 -9.94732 -12.47207 16.28581 SOLV 1352 16.28581 4471 1270 TIP3 H1 -10.61687 -11.93722 16.73936 SOLV 1352 16.73936 4472 1270 TIP3 H2 -9.59684 -11.84791 15.65262 SOLV 1352 15.65262 4473 1271 TIP3 OH2 -22.22516 -17.50403 15.07970 SOLV 1353 15.07970 4474 1271 TIP3 H1 -21.46237 -18.03561 14.74683 SOLV 1353 14.74683 4475 1271 TIP3 H2 -21.74790 -16.70797 15.53523 SOLV 1353 15.53523 4476 1272 TIP3 OH2 -13.73030 -16.48439 17.95278 SOLV 1354 17.95278 4477 1272 TIP3 H1 -13.59396 -16.10192 18.81796 SOLV 1354 18.81796 4478 1272 TIP3 H2 -14.05158 -17.38380 18.27430 SOLV 1354 18.27430 4479 1273 TIP3 OH2 -21.05142 -9.26597 13.59325 SOLV 1355 13.59325 4480 1273 TIP3 H1 -20.48448 -10.08528 13.90706 SOLV 1355 13.90706 4481 1273 TIP3 H2 -20.40861 -8.61563 13.75450 SOLV 1355 13.75450 4482 1274 TIP3 OH2 -10.29770 -13.70165 13.65104 SOLV 1356 13.65104 4483 1274 TIP3 H1 -9.60837 -14.34281 13.49836 SOLV 1356 13.49836 4484 1274 TIP3 H2 -10.04388 -13.34420 14.52417 SOLV 1356 14.52417 4485 1275 TIP3 OH2 -21.53729 -14.17604 13.85499 SOLV 1357 13.85499 4486 1275 TIP3 H1 -21.52597 -13.27291 14.18903 SOLV 1357 14.18903 4487 1275 TIP3 H2 -20.63971 -14.27812 13.59639 SOLV 1357 13.59639 4488 1276 TIP3 OH2 -26.27209 -14.46500 17.29467 SOLV 1358 17.29467 4489 1276 TIP3 H1 -27.09345 -14.27871 16.76927 SOLV 1358 16.76927 4490 1276 TIP3 H2 -25.61193 -14.06203 16.66430 SOLV 1358 16.66430 4491 1277 TIP3 OH2 -16.04718 -5.91867 14.07825 SOLV 1359 14.07825 4492 1277 TIP3 H1 -16.52047 -6.07011 14.93702 SOLV 1359 14.93702 4493 1277 TIP3 H2 -15.23212 -6.40882 14.31434 SOLV 1359 14.31434 4494 1278 TIP3 OH2 -17.45882 3.50756 10.74676 SOLV 1360 10.74676 4495 1278 TIP3 H1 -16.95525 4.02423 11.42267 SOLV 1360 11.42267 4496 1278 TIP3 H2 -16.98282 3.74117 9.94021 SOLV 1360 9.94021 4497 1279 TIP3 OH2 -18.74032 -4.30121 14.76954 SOLV 1361 14.76954 4498 1279 TIP3 H1 -19.66120 -4.50185 14.49777 SOLV 1361 14.49777 4499 1279 TIP3 H2 -18.92351 -3.68706 15.51347 SOLV 1361 15.51347 4500 1280 TIP3 OH2 -27.36556 -7.79280 9.72826 SOLV 1362 9.72826 4501 1280 TIP3 H1 -27.33325 -6.81318 9.46170 SOLV 1362 9.46170 4502 1280 TIP3 H2 -27.66997 -8.18651 8.91381 SOLV 1362 8.91381 4503 1281 TIP3 OH2 -15.37191 -3.58976 11.53355 SOLV 1363 11.53355 4504 1281 TIP3 H1 -15.32242 -2.96974 10.78623 SOLV 1363 10.78623 4505 1281 TIP3 H2 -14.97423 -4.43964 11.17722 SOLV 1363 11.17722 4506 1282 TIP3 OH2 -24.90139 -4.68709 11.44015 SOLV 1364 11.44015 4507 1282 TIP3 H1 -25.42147 -5.50700 11.73696 SOLV 1364 11.73696 4508 1282 TIP3 H2 -25.55165 -4.24063 10.82475 SOLV 1364 10.82475 4509 1283 TIP3 OH2 -20.98839 1.63780 8.93937 SOLV 1365 8.93937 4510 1283 TIP3 H1 -20.70410 2.12276 9.72625 SOLV 1365 9.72625 4511 1283 TIP3 H2 -21.41139 0.73382 9.24624 SOLV 1365 9.24624 4512 1284 TIP3 OH2 -18.93698 7.58671 15.99094 SOLV 1366 15.99094 4513 1284 TIP3 H1 -19.80695 7.26448 16.29792 SOLV 1366 16.29792 4514 1284 TIP3 H2 -18.30534 7.29752 16.72198 SOLV 1366 16.72198 4515 1285 TIP3 OH2 -20.04535 2.81827 11.19967 SOLV 1367 11.19967 4516 1285 TIP3 H1 -19.90577 3.22037 12.09791 SOLV 1367 12.09791 4517 1285 TIP3 H2 -19.05856 3.04000 11.06180 SOLV 1367 11.06180 4518 1286 TIP3 OH2 -26.38389 -2.39179 10.44118 SOLV 1368 10.44118 4519 1286 TIP3 H1 -27.25295 -2.01572 10.27840 SOLV 1368 10.27840 4520 1286 TIP3 H2 -25.74868 -1.64399 10.65407 SOLV 1368 10.65407 4521 1287 TIP3 OH2 -26.86466 1.55820 17.46866 SOLV 1369 17.46866 4522 1287 TIP3 H1 -26.82112 2.42946 17.58978 SOLV 1369 17.58978 4523 1287 TIP3 H2 -25.94999 1.31936 17.30927 SOLV 1369 17.30927 4524 1288 TIP3 OH2 -26.07258 2.45391 12.07788 SOLV 1370 12.07788 4525 1288 TIP3 H1 -26.27094 2.68554 12.99352 SOLV 1370 12.99352 4526 1288 TIP3 H2 -25.45730 3.23227 12.00039 SOLV 1370 12.00039 4527 1289 TIP3 OH2 -9.38773 7.87379 14.38631 SOLV 1371 14.38631 4528 1289 TIP3 H1 -9.09024 7.52745 13.51557 SOLV 1371 13.51557 4529 1289 TIP3 H2 -10.11903 8.42567 14.11448 SOLV 1371 14.11448 4530 1290 TIP3 OH2 -25.94008 -7.21211 15.97519 SOLV 1372 15.97519 4531 1290 TIP3 H1 -26.28602 -7.50128 16.90142 SOLV 1372 16.90142 4532 1290 TIP3 H2 -26.77800 -6.97378 15.53962 SOLV 1372 15.53962 4533 1291 TIP3 OH2 -13.82806 -0.59008 13.03816 SOLV 1373 13.03816 4534 1291 TIP3 H1 -14.01052 -1.54521 12.75027 SOLV 1373 12.75027 4535 1291 TIP3 H2 -13.88664 -0.04501 12.21610 SOLV 1373 12.21610 4536 1292 TIP3 OH2 -21.19451 -0.51664 12.01966 SOLV 1374 12.01966 4537 1292 TIP3 H1 -21.08697 -0.64163 12.99035 SOLV 1374 12.99035 4538 1292 TIP3 H2 -21.94884 0.03671 11.89395 SOLV 1374 11.89395 4539 1293 TIP3 OH2 -26.13337 7.25424 11.80890 SOLV 1375 11.80890 4540 1293 TIP3 H1 -25.80181 7.93702 11.26949 SOLV 1375 11.26949 4541 1293 TIP3 H2 -25.31475 6.72451 11.87018 SOLV 1375 11.87018 4542 1294 TIP3 OH2 -19.11086 3.23299 17.89451 SOLV 1377 17.89451 4543 1294 TIP3 H1 -20.00174 3.23893 17.51091 SOLV 1377 17.51091 4544 1294 TIP3 H2 -19.34236 3.65579 18.75086 SOLV 1377 18.75086 4545 1295 TIP3 OH2 -23.19691 7.27725 11.42666 SOLV 1378 11.42666 4546 1295 TIP3 H1 -23.69753 8.10617 11.50281 SOLV 1378 11.50281 4547 1295 TIP3 H2 -22.48631 7.48130 10.82581 SOLV 1378 10.82581 4548 1296 TIP3 OH2 -12.44114 1.38310 11.67790 SOLV 1379 11.67790 4549 1296 TIP3 H1 -12.84463 1.51720 10.81552 SOLV 1379 10.81552 4550 1296 TIP3 H2 -11.55747 1.80788 11.53515 SOLV 1379 11.53515 4551 1297 TIP3 OH2 -23.43755 -6.26688 15.28505 SOLV 1380 15.28505 4552 1297 TIP3 H1 -23.39462 -6.89687 14.57533 SOLV 1380 14.57533 4553 1297 TIP3 H2 -24.40561 -6.46810 15.37979 SOLV 1380 15.37979 4554 1298 TIP3 OH2 -18.50684 -1.54519 9.59682 SOLV 1381 9.59682 4555 1298 TIP3 H1 -18.03669 -2.37499 9.28779 SOLV 1381 9.28779 4556 1298 TIP3 H2 -19.35522 -1.90122 9.61257 SOLV 1381 9.61257 4557 1299 TIP3 OH2 -9.73420 -0.46554 10.22875 SOLV 1382 10.22875 4558 1299 TIP3 H1 -10.01035 0.23254 10.77927 SOLV 1382 10.77927 4559 1299 TIP3 H2 -9.17546 -0.04733 9.50909 SOLV 1382 9.50909 4560 1300 TIP3 OH2 -19.35295 7.02329 13.31718 SOLV 1383 13.31718 4561 1300 TIP3 H1 -19.14235 6.10029 13.13678 SOLV 1383 13.13678 4562 1300 TIP3 H2 -18.86581 7.23038 14.11069 SOLV 1383 14.11069 4563 1301 TIP3 OH2 -18.79415 -4.37304 11.85944 SOLV 1384 11.85944 4564 1301 TIP3 H1 -19.15071 -5.26518 12.08008 SOLV 1384 12.08008 4565 1301 TIP3 H2 -19.42066 -4.14789 11.15787 SOLV 1384 11.15787 4566 1302 TIP3 OH2 -14.90948 -8.68305 13.67438 SOLV 1385 13.67438 4567 1302 TIP3 H1 -15.46715 -9.28464 13.15746 SOLV 1385 13.15746 4568 1302 TIP3 H2 -15.38865 -8.76689 14.52817 SOLV 1385 14.52817 4569 1303 TIP3 OH2 -10.96251 -8.14999 16.26351 SOLV 1386 16.26351 4570 1303 TIP3 H1 -10.24895 -7.63414 15.99148 SOLV 1386 15.99148 4571 1303 TIP3 H2 -11.23595 -8.55328 15.41394 SOLV 1386 15.41394 4572 1304 TIP3 OH2 -11.49001 -9.18490 13.47621 SOLV 1387 13.47621 4573 1304 TIP3 H1 -11.50758 -8.43252 12.79585 SOLV 1387 12.79585 4574 1304 TIP3 H2 -12.37614 -9.00195 13.77628 SOLV 1387 13.77628 4575 1305 TIP3 OH2 -18.13082 -0.71540 16.30051 SOLV 1388 16.30051 4576 1305 TIP3 H1 -17.48928 -0.26591 15.68463 SOLV 1388 15.68463 4577 1305 TIP3 H2 -17.67144 -0.66985 17.17147 SOLV 1388 17.17147 4578 1306 TIP3 OH2 -21.95656 -7.08919 17.74107 SOLV 1389 17.74107 4579 1306 TIP3 H1 -22.52467 -7.88711 17.78840 SOLV 1389 17.78840 4580 1306 TIP3 H2 -22.02142 -6.89297 16.79230 SOLV 1389 16.79230 4581 1307 TIP3 OH2 -17.33417 3.46080 15.64091 SOLV 1390 15.64091 4582 1307 TIP3 H1 -16.54843 3.17945 16.09554 SOLV 1390 16.09554 4583 1307 TIP3 H2 -18.08430 3.18625 16.19979 SOLV 1390 16.19979 4584 1308 TIP3 OH2 -9.61430 7.02129 10.27964 SOLV 1391 10.27964 4585 1308 TIP3 H1 -10.21620 6.62935 10.90631 SOLV 1391 10.90631 4586 1308 TIP3 H2 -8.83361 7.20406 10.84167 SOLV 1391 10.84167 4587 1309 TIP3 OH2 -11.53113 8.08153 17.78079 SOLV 1392 17.78079 4588 1309 TIP3 H1 -11.31641 9.02419 17.45251 SOLV 1392 17.45251 4589 1309 TIP3 H2 -12.22184 8.42744 18.47922 SOLV 1392 18.47922 4590 1310 TIP3 OH2 -10.06995 -3.42228 16.81465 SOLV 1393 16.81465 4591 1310 TIP3 H1 -10.03710 -2.80573 17.56122 SOLV 1393 17.56122 4592 1310 TIP3 H2 -9.20007 -3.72879 16.74670 SOLV 1393 16.74670 4593 1311 TIP3 OH2 -17.19637 -6.33433 10.20121 SOLV 1394 10.20121 4594 1311 TIP3 H1 -17.54043 -5.99146 11.08264 SOLV 1394 11.08264 4595 1311 TIP3 H2 -16.23394 -6.28868 10.50945 SOLV 1394 10.50945 4596 1312 TIP3 OH2 -13.89371 3.42998 13.20469 SOLV 1395 13.20469 4597 1312 TIP3 H1 -14.73593 3.14391 12.94184 SOLV 1395 12.94184 4598 1312 TIP3 H2 -13.36517 2.91366 12.62247 SOLV 1395 12.62247 4599 1313 TIP3 OH2 -13.32835 -5.19057 13.94533 SOLV 1396 13.94533 4600 1313 TIP3 H1 -13.92080 -4.45202 13.94744 SOLV 1396 13.94744 4601 1313 TIP3 H2 -13.44065 -5.55742 13.00774 SOLV 1396 13.00774 4602 1314 TIP3 OH2 -11.99971 -1.62206 15.69176 SOLV 1397 15.69176 4603 1314 TIP3 H1 -11.15640 -2.09665 15.54577 SOLV 1397 15.54577 4604 1314 TIP3 H2 -11.59166 -0.98495 16.27949 SOLV 1397 16.27949 4605 1315 TIP3 OH2 -18.96255 -8.48098 15.50216 SOLV 1398 15.50216 4606 1315 TIP3 H1 -19.18862 -9.43046 15.75092 SOLV 1398 15.75092 4607 1315 TIP3 H2 -18.02785 -8.46468 15.79945 SOLV 1398 15.79945 4608 1316 TIP3 OH2 -26.91415 3.31977 14.42296 SOLV 1399 14.42296 4609 1316 TIP3 H1 -26.20691 2.66012 14.80342 SOLV 1399 14.80342 4610 1316 TIP3 H2 -27.64341 2.68658 14.38730 SOLV 1399 14.38730 4611 1317 TIP3 OH2 -10.37461 -1.08341 12.87008 SOLV 1400 12.87008 4612 1317 TIP3 H1 -10.13548 -0.98224 11.98671 SOLV 1400 11.98671 4613 1317 TIP3 H2 -9.55054 -1.37239 13.29531 SOLV 1400 13.29531 4614 1318 TIP3 OH2 -19.77133 -2.84170 16.80304 SOLV 1401 16.80304 4615 1318 TIP3 H1 -19.34272 -3.38538 17.53774 SOLV 1401 17.53774 4616 1318 TIP3 H2 -19.25267 -2.00524 16.83178 SOLV 1401 16.83178 4617 1319 TIP3 OH2 -23.18960 1.13273 12.40379 SOLV 1402 12.40379 4618 1319 TIP3 H1 -23.08381 1.29701 13.32488 SOLV 1402 13.32488 4619 1319 TIP3 H2 -23.15570 2.01465 11.97661 SOLV 1402 11.97661 4620 1320 TIP3 OH2 -11.00625 -6.61838 12.09475 SOLV 1403 12.09475 4621 1320 TIP3 H1 -10.70031 -7.09588 11.24639 SOLV 1403 11.24639 4622 1320 TIP3 H2 -11.15183 -5.80549 11.62899 SOLV 1403 11.62899 4623 1321 TIP3 OH2 -18.87757 3.98316 13.34389 SOLV 1404 13.34389 4624 1321 TIP3 H1 -17.97137 4.05769 12.90642 SOLV 1404 12.90642 4625 1321 TIP3 H2 -18.56486 3.88259 14.27167 SOLV 1404 14.27167 4626 1322 TIP3 OH2 -25.02237 1.34726 14.95746 SOLV 1405 14.95746 4627 1322 TIP3 H1 -24.05893 1.49417 15.15760 SOLV 1405 15.15760 4628 1322 TIP3 H2 -25.05861 0.52296 14.39218 SOLV 1405 14.39218 4629 1323 TIP3 OH2 -17.83433 -8.76855 9.23145 SOLV 1406 9.23145 4630 1323 TIP3 H1 -18.17248 -9.26238 10.02414 SOLV 1406 10.02414 4631 1323 TIP3 H2 -17.88156 -7.89854 9.59186 SOLV 1406 9.59186 4632 1324 TIP3 OH2 -25.12972 -0.07953 10.86134 SOLV 1407 10.86134 4633 1324 TIP3 H1 -25.56926 0.73864 10.69928 SOLV 1407 10.69928 4634 1324 TIP3 H2 -24.33670 0.10046 11.40197 SOLV 1407 11.40197 4635 1325 TIP3 OH2 -18.01121 8.98118 11.90698 SOLV 1408 11.90698 4636 1325 TIP3 H1 -18.51197 8.27307 12.33219 SOLV 1408 12.33219 4637 1325 TIP3 H2 -17.13928 8.49564 11.81179 SOLV 1408 11.81179 4638 1326 TIP3 OH2 -12.96653 1.64154 15.14814 SOLV 1409 15.14814 4639 1326 TIP3 H1 -12.93742 1.76621 16.13122 SOLV 1409 16.13122 4640 1326 TIP3 H2 -13.23554 2.55808 14.82183 SOLV 1409 14.82183 4641 1327 TIP3 OH2 -25.88700 -3.28732 13.57836 SOLV 1410 13.57836 4642 1327 TIP3 H1 -25.26179 -3.64884 12.96106 SOLV 1410 12.96106 4643 1327 TIP3 H2 -26.52542 -3.86278 13.46758 SOLV 1410 13.46758 4644 1328 TIP3 OH2 -16.25040 0.27335 14.38744 SOLV 1411 14.38744 4645 1328 TIP3 H1 -15.58842 0.14247 13.75395 SOLV 1411 13.75395 4646 1328 TIP3 H2 -16.05168 1.18328 14.66647 SOLV 1411 14.66647 4647 1329 TIP3 OH2 -23.98392 -2.14756 15.09925 SOLV 1412 15.09925 4648 1329 TIP3 H1 -24.41163 -1.64017 15.73531 SOLV 1412 15.73531 4649 1329 TIP3 H2 -24.59057 -2.91563 14.80709 SOLV 1412 14.80709 4650 1330 TIP3 OH2 -20.89783 -2.63915 10.24228 SOLV 1413 10.24228 4651 1330 TIP3 H1 -21.03987 -1.76357 10.65696 SOLV 1413 10.65696 4652 1330 TIP3 H2 -21.31349 -3.24656 10.88634 SOLV 1413 10.88634 4653 1331 TIP3 OH2 -13.67996 4.36831 16.47132 SOLV 1414 16.47132 4654 1331 TIP3 H1 -13.94720 3.43531 16.78281 SOLV 1414 16.78281 4655 1331 TIP3 H2 -12.83021 4.34418 16.85265 SOLV 1414 16.85265 4656 1332 TIP3 OH2 -22.27965 -4.95848 11.79199 SOLV 1415 11.79199 4657 1332 TIP3 H1 -23.23950 -4.77426 11.58586 SOLV 1415 11.58586 4658 1332 TIP3 H2 -22.14521 -5.81350 11.29122 SOLV 1415 11.29122 4659 1333 TIP3 OH2 -15.77934 7.74488 12.37660 SOLV 1416 12.37660 4660 1333 TIP3 H1 -15.31928 7.27910 13.11200 SOLV 1416 13.11200 4661 1333 TIP3 H2 -15.07100 7.74690 11.73375 SOLV 1416 11.73375 4662 1334 TIP3 OH2 -14.45105 6.48766 14.41427 SOLV 1417 14.41427 4663 1334 TIP3 H1 -14.41105 5.74474 14.96543 SOLV 1417 14.96543 4664 1334 TIP3 H2 -14.09426 7.12616 15.04747 SOLV 1417 15.04747 4665 1335 TIP3 OH2 -13.64184 7.22642 10.74387 SOLV 1418 10.74387 4666 1335 TIP3 H1 -13.01423 7.80473 10.23930 SOLV 1418 10.23930 4667 1335 TIP3 H2 -12.97557 6.62967 11.21147 SOLV 1418 11.21147 4668 1336 TIP3 OH2 -10.55492 0.00206 17.30640 SOLV 1419 17.30640 4669 1336 TIP3 H1 -10.89299 0.33722 18.17568 SOLV 1419 18.17568 4670 1336 TIP3 H2 -9.59961 0.01565 17.54959 SOLV 1419 17.54959 4671 1337 TIP3 OH2 -14.34830 7.14124 17.23163 SOLV 1420 17.23163 4672 1337 TIP3 H1 -13.63113 6.50190 17.17039 SOLV 1420 17.17039 4673 1337 TIP3 H2 -13.92121 7.84840 17.70155 SOLV 1420 17.70155 4674 1338 TIP3 OH2 -26.97810 -0.95612 15.02022 SOLV 1421 15.02022 4675 1338 TIP3 H1 -26.65765 -1.81329 14.58324 SOLV 1421 14.58324 4676 1338 TIP3 H2 -26.37731 -0.97639 15.78288 SOLV 1421 15.78288 4677 1339 TIP3 OH2 -22.08682 -0.84835 17.37094 SOLV 1422 17.37094 4678 1339 TIP3 H1 -22.38522 -0.07463 16.91840 SOLV 1422 16.91840 4679 1339 TIP3 H2 -21.86037 -0.52579 18.26142 SOLV 1422 18.26142 4680 1340 TIP3 OH2 -24.00997 5.28052 15.98437 SOLV 1423 15.98437 4681 1340 TIP3 H1 -24.10858 5.51525 15.02786 SOLV 1423 15.02786 4682 1340 TIP3 H2 -23.39530 5.98589 16.19665 SOLV 1423 16.19665 4683 1341 TIP3 OH2 -12.30061 5.26283 11.77846 SOLV 1424 11.77846 4684 1341 TIP3 H1 -13.12701 5.07850 12.25690 SOLV 1424 12.25690 4685 1341 TIP3 H2 -11.59462 5.07732 12.44415 SOLV 1424 12.44415 4686 1342 TIP3 OH2 -16.20014 4.89117 12.72370 SOLV 1425 12.72370 4687 1342 TIP3 H1 -15.67829 5.03404 13.56824 SOLV 1425 13.56824 4688 1342 TIP3 H2 -16.34831 5.81405 12.43503 SOLV 1425 12.43503 4689 1343 TIP3 OH2 -21.68942 -4.23891 14.48319 SOLV 1426 14.48319 4690 1343 TIP3 H1 -22.44590 -4.76905 14.71852 SOLV 1426 14.71852 4691 1343 TIP3 H2 -21.71071 -4.31856 13.46213 SOLV 1426 13.46213 4692 1344 TIP3 OH2 -25.18855 -9.22338 10.48471 SOLV 1427 10.48471 4693 1344 TIP3 H1 -25.89256 -8.57598 10.18331 SOLV 1427 10.18331 4694 1344 TIP3 H2 -24.82909 -9.34760 9.58889 SOLV 1427 9.58889 4695 1345 TIP3 OH2 -24.18906 4.65204 12.20138 SOLV 1428 12.20138 4696 1345 TIP3 H1 -23.95845 5.49013 11.87738 SOLV 1428 11.87738 4697 1345 TIP3 H2 -23.29511 4.45004 12.56116 SOLV 1428 12.56116 4698 1346 TIP3 OH2 -10.10043 1.29363 14.69107 SOLV 1429 14.69107 4699 1346 TIP3 H1 -10.09167 0.84957 15.59859 SOLV 1429 15.59859 4700 1346 TIP3 H2 -9.30272 0.87365 14.42173 SOLV 1429 14.42173 4701 1347 TIP3 OH2 -25.40213 -1.01906 17.30042 SOLV 1430 17.30042 4702 1347 TIP3 H1 -26.27751 -1.28856 17.61269 SOLV 1430 17.61269 4703 1347 TIP3 H2 -24.97690 -0.70458 18.07362 SOLV 1430 18.07362 4704 1348 TIP3 OH2 -21.52698 3.45881 16.44084 SOLV 1431 16.44084 4705 1348 TIP3 H1 -21.49773 3.99327 15.57208 SOLV 1431 15.57208 4706 1348 TIP3 H2 -21.87417 4.12777 16.98222 SOLV 1431 16.98222 4707 1349 TIP3 OH2 -17.98142 -1.77744 12.64937 SOLV 1432 12.64937 4708 1349 TIP3 H1 -18.31231 -1.89933 11.77521 SOLV 1432 11.77521 4709 1349 TIP3 H2 -17.89705 -0.82416 12.61442 SOLV 1432 12.61442 4710 1350 TIP3 OH2 -15.64188 1.52996 11.86792 SOLV 1433 11.86792 4711 1350 TIP3 H1 -15.18162 1.50522 11.07050 SOLV 1433 11.07050 4712 1350 TIP3 H2 -16.53923 1.86097 11.58672 SOLV 1433 11.58672 4713 1351 TIP3 OH2 -14.27318 -6.73914 16.17368 SOLV 1434 16.17368 4714 1351 TIP3 H1 -13.64578 -6.56705 16.88122 SOLV 1434 16.88122 4715 1351 TIP3 H2 -13.71666 -6.46145 15.41007 SOLV 1434 15.41007 4716 1352 TIP3 OH2 -25.20321 8.62584 15.95212 SOLV 1435 15.95212 4717 1352 TIP3 H1 -24.96261 9.48284 15.61950 SOLV 1435 15.61950 4718 1352 TIP3 H2 -26.16517 8.47776 15.64765 SOLV 1435 15.64765 4719 1353 TIP3 OH2 -9.83917 2.02213 11.31861 SOLV 1436 11.31861 4720 1353 TIP3 H1 -8.91772 2.00017 11.72594 SOLV 1436 11.72594 4721 1353 TIP3 H2 -9.63401 2.67059 10.62906 SOLV 1436 10.62906 4722 1354 TIP3 OH2 -19.14866 -6.17243 17.66811 SOLV 1437 17.66811 4723 1354 TIP3 H1 -18.66414 -6.70411 16.99083 SOLV 1437 16.99083 4724 1354 TIP3 H2 -20.05091 -6.52391 17.61620 SOLV 1437 17.61620 4725 1355 TIP3 OH2 -10.60698 3.28525 16.82881 SOLV 1438 16.82881 4726 1355 TIP3 H1 -10.70917 3.13251 15.86029 SOLV 1438 15.86029 4727 1355 TIP3 H2 -10.09830 2.47917 16.98463 SOLV 1438 16.98463 4728 1356 TIP3 OH2 -21.65980 7.11481 16.87460 SOLV 1439 16.87460 4729 1356 TIP3 H1 -22.39998 7.73890 16.93549 SOLV 1439 16.93549 4730 1356 TIP3 H2 -21.25142 7.16163 17.74390 SOLV 1439 17.74390 4731 1357 TIP3 OH2 -9.94732 6.18140 16.28581 SOLV 1440 16.28581 4732 1357 TIP3 H1 -10.61687 6.71625 16.73936 SOLV 1440 16.73936 4733 1357 TIP3 H2 -9.59684 6.80556 15.65262 SOLV 1440 15.65262 4734 1358 TIP3 OH2 -14.62286 -6.43018 11.37287 SOLV 1441 11.37287 4735 1358 TIP3 H1 -13.94008 -6.88834 10.82271 SOLV 1441 10.82271 4736 1358 TIP3 H2 -14.88306 -7.15071 11.98916 SOLV 1441 11.98916 4737 1359 TIP3 OH2 -23.56139 -8.13304 13.23327 SOLV 1442 13.23327 4738 1359 TIP3 H1 -22.85481 -8.75726 13.47111 SOLV 1442 13.47111 4739 1359 TIP3 H2 -23.26761 -7.88429 12.34187 SOLV 1442 12.34187 4740 1360 TIP3 OH2 -15.73198 -2.74515 14.81715 SOLV 1443 14.81715 4741 1360 TIP3 H1 -15.78782 -1.78690 14.80056 SOLV 1443 14.80056 4742 1360 TIP3 H2 -15.18354 -2.85268 15.67760 SOLV 1443 15.67760 4743 1361 TIP3 OH2 -16.27169 -8.31900 16.08830 SOLV 1444 16.08830 4744 1361 TIP3 H1 -16.45791 -8.74192 16.99620 SOLV 1444 16.99620 4745 1361 TIP3 H2 -15.54598 -7.70698 16.40785 SOLV 1444 16.40785 4746 1362 TIP3 OH2 -22.22516 1.14944 15.07970 SOLV 1445 15.07970 4747 1362 TIP3 H1 -21.46237 0.61786 14.74683 SOLV 1445 14.74683 4748 1362 TIP3 H2 -21.74790 1.94550 15.53523 SOLV 1445 15.53523 4749 1363 TIP3 OH2 -10.15678 -4.52303 10.57893 SOLV 1446 10.57893 4750 1363 TIP3 H1 -10.15364 -3.59379 10.71422 SOLV 1446 10.71422 4751 1363 TIP3 H2 -9.56138 -4.69441 9.83817 SOLV 1446 9.83817 4752 1364 TIP3 OH2 -13.73030 2.16908 17.95278 SOLV 1447 17.95278 4753 1364 TIP3 H1 -13.59396 2.55155 18.81796 SOLV 1447 18.81796 4754 1364 TIP3 H2 -14.05158 1.26967 18.27430 SOLV 1447 18.27430 4755 1365 TIP3 OH2 -21.05142 9.38750 13.59325 SOLV 1448 13.59325 4756 1365 TIP3 H1 -20.48448 8.56819 13.90706 SOLV 1448 13.90706 4757 1365 TIP3 H2 -20.40861 10.03784 13.75450 SOLV 1448 13.75450 4758 1366 TIP3 OH2 -18.50079 -6.86432 12.84249 SOLV 1449 12.84249 4759 1366 TIP3 H1 -17.60296 -6.78923 13.24622 SOLV 1449 13.24622 4760 1366 TIP3 H2 -18.74297 -7.82725 12.81118 SOLV 1449 12.81118 4761 1367 TIP3 OH2 -26.18403 -4.23411 17.57234 SOLV 1450 17.57234 4762 1367 TIP3 H1 -26.24948 -5.05558 17.10780 SOLV 1450 17.10780 4763 1367 TIP3 H2 -25.23157 -3.98848 17.45929 SOLV 1450 17.45929 4764 1368 TIP3 OH2 -23.35476 -4.20338 17.01817 SOLV 1451 17.01817 4765 1368 TIP3 H1 -22.79852 -4.72657 17.65533 SOLV 1451 17.65533 4766 1368 TIP3 H2 -23.41271 -4.84087 16.26602 SOLV 1451 16.26602 4767 1369 TIP3 OH2 -10.29770 4.95182 13.65104 SOLV 1452 13.65104 4768 1369 TIP3 H1 -9.60837 4.31066 13.49836 SOLV 1452 13.49836 4769 1369 TIP3 H2 -10.04388 5.30927 14.52417 SOLV 1452 14.52417 4770 1370 TIP3 OH2 -21.53729 4.47743 13.85499 SOLV 1453 13.85499 4771 1370 TIP3 H1 -21.52597 5.38056 14.18903 SOLV 1453 14.18903 4772 1370 TIP3 H2 -20.63971 4.37535 13.59639 SOLV 1453 13.59639 4773 1371 TIP3 OH2 -25.88016 -6.94206 12.52443 SOLV 1454 12.52443 4774 1371 TIP3 H1 -26.36599 -7.76062 12.19453 SOLV 1454 12.19453 4775 1371 TIP3 H2 -25.05769 -7.34894 12.83702 SOLV 1454 12.83702 4776 1372 TIP3 OH2 -9.71555 -6.43175 14.53834 SOLV 1455 14.53834 4777 1372 TIP3 H1 -9.68652 -6.79442 13.57814 SOLV 1455 13.57814 4778 1372 TIP3 H2 -10.40556 -5.74293 14.51494 SOLV 1455 14.51494 4779 1373 TIP3 OH2 -26.27209 4.18847 17.29467 SOLV 1456 17.29467 4780 1373 TIP3 H1 -27.09345 4.37476 16.76927 SOLV 1456 16.76927 4781 1373 TIP3 H2 -25.61193 4.59144 16.66430 SOLV 1456 16.66430 4782 1374 TIP3 OH2 -20.42998 -1.03349 14.56892 SOLV 1457 14.56892 4783 1374 TIP3 H1 -19.70853 -0.58146 15.06752 SOLV 1457 15.06752 4784 1374 TIP3 H2 -19.97535 -1.69559 14.04372 SOLV 1457 14.04372 4785 1375 TIP3 OH2 -22.89015 -7.34486 10.38082 SOLV 1458 10.38082 4786 1375 TIP3 H1 -22.73483 -7.20310 9.44164 SOLV 1458 9.44164 4787 1375 TIP3 H2 -23.61515 -7.99626 10.29329 SOLV 1458 10.29329 4788 1376 TIP3 OH2 -20.76834 -9.26682 10.72137 SOLV 1459 10.72137 4789 1376 TIP3 H1 -21.34027 -8.47480 10.71253 SOLV 1459 10.71253 4790 1376 TIP3 H2 -20.69512 -9.53119 11.71315 SOLV 1459 11.71315 4791 1377 TIP3 OH2 -13.73039 -3.32177 16.61500 SOLV 1460 16.61500 4792 1377 TIP3 H1 -13.67217 -4.13924 16.11178 SOLV 1460 16.11178 4793 1377 TIP3 H2 -12.94869 -2.79885 16.29925 SOLV 1460 16.29925 4794 1378 SOD SOD -11.96283 0.31837 13.83374 SOLV 1462 13.83374 4795 1379 TIP3 OH2 -16.04718 12.73480 14.07825 SOLV 1464 14.07825 4796 1379 TIP3 H1 -16.52047 12.58336 14.93702 SOLV 1464 14.93702 4797 1379 TIP3 H2 -15.23212 12.24465 14.31434 SOLV 1464 14.31434 4798 1380 TIP3 OH2 -18.74032 14.35226 14.76954 SOLV 1465 14.76954 4799 1380 TIP3 H1 -19.66120 14.15162 14.49777 SOLV 1465 14.49777 4800 1380 TIP3 H2 -18.92351 14.96641 15.51347 SOLV 1465 15.51347 4801 1381 TIP3 OH2 -27.36556 10.86067 9.72826 SOLV 1466 9.72826 4802 1381 TIP3 H1 -27.33325 11.84029 9.46170 SOLV 1466 9.46170 4803 1381 TIP3 H2 -27.66997 10.46696 8.91381 SOLV 1466 8.91381 4804 1382 TIP3 OH2 -15.37191 15.06371 11.53355 SOLV 1467 11.53355 4805 1382 TIP3 H1 -15.32242 15.68373 10.78623 SOLV 1467 10.78623 4806 1382 TIP3 H2 -14.97423 14.21383 11.17722 SOLV 1467 11.17722 4807 1383 TIP3 OH2 -24.90139 13.96638 11.44015 SOLV 1468 11.44015 4808 1383 TIP3 H1 -25.42147 13.14647 11.73696 SOLV 1468 11.73696 4809 1383 TIP3 H2 -25.55165 14.41284 10.82475 SOLV 1468 10.82475 4810 1384 TIP3 OH2 -26.38389 16.26168 10.44118 SOLV 1469 10.44118 4811 1384 TIP3 H1 -27.25295 16.63775 10.27840 SOLV 1469 10.27840 4812 1384 TIP3 H2 -25.74868 17.00948 10.65407 SOLV 1469 10.65407 4813 1385 TIP3 OH2 -25.94008 11.44136 15.97519 SOLV 1470 15.97519 4814 1385 TIP3 H1 -26.28602 11.15219 16.90142 SOLV 1470 16.90142 4815 1385 TIP3 H2 -26.77800 11.67969 15.53962 SOLV 1470 15.53962 4816 1386 TIP3 OH2 -23.43755 12.38659 15.28505 SOLV 1471 15.28505 4817 1386 TIP3 H1 -23.39462 11.75660 14.57533 SOLV 1471 14.57533 4818 1386 TIP3 H2 -24.40561 12.18537 15.37979 SOLV 1471 15.37979 4819 1387 TIP3 OH2 -18.50684 17.10828 9.59682 SOLV 1472 9.59682 4820 1387 TIP3 H1 -18.03669 16.27848 9.28779 SOLV 1472 9.28779 4821 1387 TIP3 H2 -19.35522 16.75225 9.61257 SOLV 1472 9.61257 4822 1388 TIP3 OH2 -18.79415 14.28043 11.85944 SOLV 1473 11.85944 4823 1388 TIP3 H1 -19.15071 13.38829 12.08008 SOLV 1473 12.08008 4824 1388 TIP3 H2 -19.42066 14.50558 11.15787 SOLV 1473 11.15787 4825 1389 TIP3 OH2 -14.90948 9.97042 13.67438 SOLV 1474 13.67438 4826 1389 TIP3 H1 -15.46715 9.36883 13.15746 SOLV 1474 13.15746 4827 1389 TIP3 H2 -15.38865 9.88658 14.52817 SOLV 1474 14.52817 4828 1390 TIP3 OH2 -10.96251 10.50348 16.26351 SOLV 1475 16.26351 4829 1390 TIP3 H1 -10.24895 11.01933 15.99148 SOLV 1475 15.99148 4830 1390 TIP3 H2 -11.23595 10.10019 15.41394 SOLV 1475 15.41394 4831 1391 TIP3 OH2 -11.49001 9.46857 13.47621 SOLV 1476 13.47621 4832 1391 TIP3 H1 -11.50758 10.22095 12.79585 SOLV 1476 12.79585 4833 1391 TIP3 H2 -12.37614 9.65152 13.77628 SOLV 1476 13.77628 4834 1392 TIP3 OH2 -18.13082 17.93807 16.30051 SOLV 1477 16.30051 4835 1392 TIP3 H1 -17.48928 18.38756 15.68463 SOLV 1477 15.68463 4836 1392 TIP3 H2 -17.67144 17.98362 17.17147 SOLV 1477 17.17147 4837 1393 TIP3 OH2 -21.95656 11.56428 17.74107 SOLV 1478 17.74107 4838 1393 TIP3 H1 -22.52467 10.76636 17.78840 SOLV 1478 17.78840 4839 1393 TIP3 H2 -22.02142 11.76050 16.79230 SOLV 1478 16.79230 4840 1394 TIP3 OH2 -10.06995 15.23119 16.81465 SOLV 1479 16.81465 4841 1394 TIP3 H1 -10.03710 15.84774 17.56122 SOLV 1479 17.56122 4842 1394 TIP3 H2 -9.20007 14.92468 16.74670 SOLV 1479 16.74670 4843 1395 TIP3 OH2 -17.19637 12.31914 10.20121 SOLV 1480 10.20121 4844 1395 TIP3 H1 -17.54043 12.66201 11.08264 SOLV 1480 11.08264 4845 1395 TIP3 H2 -16.23394 12.36479 10.50945 SOLV 1480 10.50945 4846 1396 TIP3 OH2 -13.32835 13.46290 13.94533 SOLV 1481 13.94533 4847 1396 TIP3 H1 -13.92080 14.20145 13.94744 SOLV 1481 13.94744 4848 1396 TIP3 H2 -13.44065 13.09605 13.00774 SOLV 1481 13.00774 4849 1397 TIP3 OH2 -11.99971 17.03141 15.69176 SOLV 1482 15.69176 4850 1397 TIP3 H1 -11.15640 16.55682 15.54577 SOLV 1482 15.54577 4851 1397 TIP3 H2 -11.59166 17.66852 16.27949 SOLV 1482 16.27949 4852 1398 TIP3 OH2 -18.96255 10.17249 15.50216 SOLV 1483 15.50216 4853 1398 TIP3 H1 -19.18862 9.22301 15.75092 SOLV 1483 15.75092 4854 1398 TIP3 H2 -18.02785 10.18879 15.79945 SOLV 1483 15.79945 4855 1399 TIP3 OH2 -10.37461 17.57006 12.87008 SOLV 1484 12.87008 4856 1399 TIP3 H1 -10.13548 17.67123 11.98671 SOLV 1484 11.98671 4857 1399 TIP3 H2 -9.55054 17.28108 13.29531 SOLV 1484 13.29531 4858 1400 TIP3 OH2 -19.77133 15.81177 16.80304 SOLV 1485 16.80304 4859 1400 TIP3 H1 -19.34272 15.26809 17.53774 SOLV 1485 17.53774 4860 1400 TIP3 H2 -19.25267 16.64823 16.83178 SOLV 1485 16.83178 4861 1401 TIP3 OH2 -11.00625 12.03509 12.09475 SOLV 1486 12.09475 4862 1401 TIP3 H1 -10.70031 11.55759 11.24639 SOLV 1486 11.24639 4863 1401 TIP3 H2 -11.15183 12.84798 11.62899 SOLV 1486 11.62899 4864 1402 TIP3 OH2 -17.83433 9.88492 9.23145 SOLV 1487 9.23145 4865 1402 TIP3 H1 -18.17248 9.39109 10.02414 SOLV 1487 10.02414 4866 1402 TIP3 H2 -17.88156 10.75493 9.59186 SOLV 1487 9.59186 4867 1403 TIP3 OH2 -25.88700 15.36615 13.57836 SOLV 1488 13.57836 4868 1403 TIP3 H1 -25.26179 15.00463 12.96106 SOLV 1488 12.96106 4869 1403 TIP3 H2 -26.52542 14.79069 13.46758 SOLV 1488 13.46758 4870 1404 TIP3 OH2 -23.98392 16.50591 15.09925 SOLV 1489 15.09925 4871 1404 TIP3 H1 -24.41163 17.01330 15.73531 SOLV 1489 15.73531 4872 1404 TIP3 H2 -24.59057 15.73784 14.80709 SOLV 1489 14.80709 4873 1405 TIP3 OH2 -20.89783 16.01432 10.24228 SOLV 1490 10.24228 4874 1405 TIP3 H1 -21.03987 16.88990 10.65696 SOLV 1490 10.65696 4875 1405 TIP3 H2 -21.31349 15.40691 10.88634 SOLV 1490 10.88634 4876 1406 TIP3 OH2 -22.27965 13.69499 11.79199 SOLV 1491 11.79199 4877 1406 TIP3 H1 -23.23950 13.87921 11.58586 SOLV 1491 11.58586 4878 1406 TIP3 H2 -22.14521 12.83997 11.29122 SOLV 1491 11.29122 4879 1407 TIP3 OH2 -26.97810 17.69735 15.02022 SOLV 1492 15.02022 4880 1407 TIP3 H1 -26.65765 16.84018 14.58324 SOLV 1492 14.58324 4881 1407 TIP3 H2 -26.37731 17.67708 15.78288 SOLV 1492 15.78288 4882 1408 TIP3 OH2 -22.08682 17.80512 17.37094 SOLV 1493 17.37094 4883 1408 TIP3 H1 -22.38522 18.57884 16.91840 SOLV 1493 16.91840 4884 1408 TIP3 H2 -21.86037 18.12768 18.26142 SOLV 1493 18.26142 4885 1409 TIP3 OH2 -21.68942 14.41456 14.48319 SOLV 1494 14.48319 4886 1409 TIP3 H1 -22.44590 13.88442 14.71852 SOLV 1494 14.71852 4887 1409 TIP3 H2 -21.71071 14.33491 13.46213 SOLV 1494 13.46213 4888 1410 TIP3 OH2 -25.18855 9.43009 10.48471 SOLV 1495 10.48471 4889 1410 TIP3 H1 -25.89256 10.07749 10.18331 SOLV 1495 10.18331 4890 1410 TIP3 H2 -24.82909 9.30587 9.58889 SOLV 1495 9.58889 4891 1411 TIP3 OH2 -25.40213 17.63441 17.30042 SOLV 1496 17.30042 4892 1411 TIP3 H1 -26.27751 17.36491 17.61269 SOLV 1496 17.61269 4893 1411 TIP3 H2 -24.97690 17.94889 18.07362 SOLV 1496 18.07362 4894 1412 TIP3 OH2 -17.98142 16.87603 12.64937 SOLV 1497 12.64937 4895 1412 TIP3 H1 -18.31231 16.75414 11.77521 SOLV 1497 11.77521 4896 1412 TIP3 H2 -17.89705 17.82931 12.61442 SOLV 1497 12.61442 4897 1413 TIP3 OH2 -14.27318 11.91433 16.17368 SOLV 1498 16.17368 4898 1413 TIP3 H1 -13.64578 12.08642 16.88122 SOLV 1498 16.88122 4899 1413 TIP3 H2 -13.71666 12.19202 15.41007 SOLV 1498 15.41007 4900 1414 TIP3 OH2 -19.14866 12.48104 17.66811 SOLV 1499 17.66811 4901 1414 TIP3 H1 -18.66414 11.94936 16.99083 SOLV 1499 16.99083 4902 1414 TIP3 H2 -20.05091 12.12956 17.61620 SOLV 1499 17.61620 4903 1415 TIP3 OH2 -14.62286 12.22329 11.37287 SOLV 1500 11.37287 4904 1415 TIP3 H1 -13.94008 11.76513 10.82271 SOLV 1500 10.82271 4905 1415 TIP3 H2 -14.88306 11.50276 11.98916 SOLV 1500 11.98916 4906 1416 TIP3 OH2 -23.56139 10.52043 13.23327 SOLV 1501 13.23327 4907 1416 TIP3 H1 -22.85481 9.89621 13.47111 SOLV 1501 13.47111 4908 1416 TIP3 H2 -23.26761 10.76918 12.34187 SOLV 1501 12.34187 4909 1417 TIP3 OH2 -15.73198 15.90832 14.81715 SOLV 1502 14.81715 4910 1417 TIP3 H1 -15.78782 16.86657 14.80056 SOLV 1502 14.80056 4911 1417 TIP3 H2 -15.18354 15.80079 15.67760 SOLV 1502 15.67760 4912 1418 TIP3 OH2 -16.27169 10.33447 16.08830 SOLV 1503 16.08830 4913 1418 TIP3 H1 -16.45791 9.91155 16.99620 SOLV 1503 16.99620 4914 1418 TIP3 H2 -15.54598 10.94649 16.40785 SOLV 1503 16.40785 4915 1419 TIP3 OH2 -10.15678 14.13044 10.57893 SOLV 1504 10.57893 4916 1419 TIP3 H1 -10.15364 15.05968 10.71422 SOLV 1504 10.71422 4917 1419 TIP3 H2 -9.56138 13.95906 9.83817 SOLV 1504 9.83817 4918 1420 TIP3 OH2 -18.50079 11.78915 12.84249 SOLV 1505 12.84249 4919 1420 TIP3 H1 -17.60296 11.86424 13.24622 SOLV 1505 13.24622 4920 1420 TIP3 H2 -18.74297 10.82622 12.81118 SOLV 1505 12.81118 4921 1421 TIP3 OH2 -26.18403 14.41936 17.57234 SOLV 1506 17.57234 4922 1421 TIP3 H1 -26.24948 13.59789 17.10780 SOLV 1506 17.10780 4923 1421 TIP3 H2 -25.23157 14.66499 17.45929 SOLV 1506 17.45929 4924 1422 TIP3 OH2 -23.35476 14.45009 17.01817 SOLV 1507 17.01817 4925 1422 TIP3 H1 -22.79852 13.92690 17.65533 SOLV 1507 17.65533 4926 1422 TIP3 H2 -23.41271 13.81260 16.26602 SOLV 1507 16.26602 4927 1423 TIP3 OH2 -25.88016 11.71141 12.52443 SOLV 1508 12.52443 4928 1423 TIP3 H1 -26.36599 10.89285 12.19453 SOLV 1508 12.19453 4929 1423 TIP3 H2 -25.05769 11.30453 12.83702 SOLV 1508 12.83702 4930 1424 TIP3 OH2 -9.71555 12.22172 14.53834 SOLV 1509 14.53834 4931 1424 TIP3 H1 -9.68652 11.85905 13.57814 SOLV 1509 13.57814 4932 1424 TIP3 H2 -10.40556 12.91054 14.51494 SOLV 1509 14.51494 4933 1425 TIP3 OH2 -20.42998 17.61998 14.56892 SOLV 1510 14.56892 4934 1425 TIP3 H1 -19.70853 18.07201 15.06752 SOLV 1510 15.06752 4935 1425 TIP3 H2 -19.97535 16.95788 14.04372 SOLV 1510 14.04372 4936 1426 TIP3 OH2 -22.89015 11.30861 10.38082 SOLV 1511 10.38082 4937 1426 TIP3 H1 -22.73483 11.45037 9.44164 SOLV 1511 9.44164 4938 1426 TIP3 H2 -23.61515 10.65721 10.29329 SOLV 1511 10.29329 4939 1427 TIP3 OH2 -20.76834 9.38665 10.72137 SOLV 1512 10.72137 4940 1427 TIP3 H1 -21.34027 10.17867 10.71253 SOLV 1512 10.71253 4941 1427 TIP3 H2 -20.69512 9.12228 11.71315 SOLV 1512 11.71315 4942 1428 TIP3 OH2 -13.73039 15.33170 16.61500 SOLV 1513 16.61500 4943 1428 TIP3 H1 -13.67217 14.51423 16.11178 SOLV 1513 16.11178 4944 1428 TIP3 H2 -12.94869 15.85462 16.29925 SOLV 1513 16.29925 4945 1429 TIP3 OH2 1.19465 -15.14591 10.74676 SOLV 1516 10.74676 4946 1429 TIP3 H1 1.69822 -14.62924 11.42267 SOLV 1516 11.42267 4947 1429 TIP3 H2 1.67065 -14.91230 9.94021 SOLV 1516 9.94021 4948 1430 TIP3 OH2 -2.33492 -17.01567 8.93937 SOLV 1517 8.93937 4949 1430 TIP3 H1 -2.05063 -16.53071 9.72625 SOLV 1517 9.72625 4950 1430 TIP3 H2 -2.75792 -17.91965 9.24624 SOLV 1517 9.24624 4951 1431 TIP3 OH2 -0.28351 -11.06676 15.99094 SOLV 1518 15.99094 4952 1431 TIP3 H1 -1.15348 -11.38899 16.29792 SOLV 1518 16.29792 4953 1431 TIP3 H2 0.34813 -11.35595 16.72198 SOLV 1518 16.72198 4954 1432 TIP3 OH2 -1.39188 -15.83520 11.19967 SOLV 1519 11.19967 4955 1432 TIP3 H1 -1.25230 -15.43310 12.09791 SOLV 1519 12.09791 4956 1432 TIP3 H2 -0.40509 -15.61347 11.06180 SOLV 1519 11.06180 4957 1433 TIP3 OH2 -8.21119 -17.09527 17.46866 SOLV 1520 17.46866 4958 1433 TIP3 H1 -8.16765 -16.22401 17.58978 SOLV 1520 17.58978 4959 1433 TIP3 H2 -7.29652 -17.33411 17.30927 SOLV 1520 17.30927 4960 1434 TIP3 OH2 -7.41911 -16.19956 12.07788 SOLV 1521 12.07788 4961 1434 TIP3 H1 -7.61747 -15.96793 12.99352 SOLV 1521 12.99352 4962 1434 TIP3 H2 -6.80383 -15.42120 12.00039 SOLV 1521 12.00039 4963 1435 TIP3 OH2 9.26574 -10.77968 14.38631 SOLV 1522 14.38631 4964 1435 TIP3 H1 9.56323 -11.12602 13.51557 SOLV 1522 13.51557 4965 1435 TIP3 H2 8.53444 -10.22780 14.11448 SOLV 1522 14.11448 4966 1436 TIP3 OH2 -7.47990 -11.39923 11.80890 SOLV 1523 11.80890 4967 1436 TIP3 H1 -7.14834 -10.71645 11.26949 SOLV 1523 11.26949 4968 1436 TIP3 H2 -6.66128 -11.92896 11.87018 SOLV 1523 11.87018 4969 1437 TIP3 OH2 7.67829 -14.76884 9.48976 SOLV 1524 9.48976 4970 1437 TIP3 H1 6.98901 -14.72919 8.82407 SOLV 1524 8.82407 4971 1437 TIP3 H2 7.33576 -14.17661 10.18185 SOLV 1524 10.18185 4972 1438 TIP3 OH2 -0.45739 -15.42048 17.89451 SOLV 1525 17.89451 4973 1438 TIP3 H1 -1.34827 -15.41454 17.51091 SOLV 1525 17.51091 4974 1438 TIP3 H2 -0.68889 -14.99768 18.75086 SOLV 1525 18.75086 4975 1439 TIP3 OH2 -4.54344 -11.37622 11.42666 SOLV 1526 11.42666 4976 1439 TIP3 H1 -5.04406 -10.54730 11.50281 SOLV 1526 11.50281 4977 1439 TIP3 H2 -3.83284 -11.17217 10.82581 SOLV 1526 10.82581 4978 1440 TIP3 OH2 6.21233 -17.27037 11.67790 SOLV 1527 11.67790 4979 1440 TIP3 H1 5.80884 -17.13627 10.81552 SOLV 1527 10.81552 4980 1440 TIP3 H2 7.09600 -16.84559 11.53515 SOLV 1527 11.53515 4981 1441 TIP3 OH2 -0.69948 -11.63018 13.31718 SOLV 1528 13.31718 4982 1441 TIP3 H1 -0.48888 -12.55318 13.13678 SOLV 1528 13.13678 4983 1441 TIP3 H2 -0.21234 -11.42309 14.11069 SOLV 1528 14.11069 4984 1442 TIP3 OH2 1.31930 -15.19267 15.64091 SOLV 1529 15.64091 4985 1442 TIP3 H1 2.10504 -15.47402 16.09554 SOLV 1529 16.09554 4986 1442 TIP3 H2 0.56917 -15.46722 16.19979 SOLV 1529 16.19979 4987 1443 TIP3 OH2 9.03917 -11.63218 10.27964 SOLV 1530 10.27964 4988 1443 TIP3 H1 8.43727 -12.02412 10.90631 SOLV 1530 10.90631 4989 1443 TIP3 H2 9.81986 -11.44941 10.84167 SOLV 1530 10.84167 4990 1444 TIP3 OH2 7.12234 -10.57194 17.78079 SOLV 1531 17.78079 4991 1444 TIP3 H1 7.33706 -9.62928 17.45251 SOLV 1531 17.45251 4992 1444 TIP3 H2 6.43163 -10.22603 18.47922 SOLV 1531 18.47922 4993 1445 TIP3 OH2 4.75976 -15.22349 13.20469 SOLV 1532 13.20469 4994 1445 TIP3 H1 3.91754 -15.50956 12.94184 SOLV 1532 12.94184 4995 1445 TIP3 H2 5.28830 -15.73981 12.62247 SOLV 1532 12.62247 4996 1446 TIP3 OH2 -8.26068 -15.33370 14.42296 SOLV 1533 14.42296 4997 1446 TIP3 H1 -7.55344 -15.99335 14.80342 SOLV 1533 14.80342 4998 1446 TIP3 H2 -8.98994 -15.96689 14.38730 SOLV 1533 14.38730 4999 1447 TIP3 OH2 -4.53613 -17.52074 12.40379 SOLV 1534 12.40379 5000 1447 TIP3 H1 -4.43034 -17.35646 13.32488 SOLV 1534 13.32488 5001 1447 TIP3 H2 -4.50223 -16.63882 11.97661 SOLV 1534 11.97661 5002 1448 TIP3 OH2 -0.22410 -14.67031 13.34389 SOLV 1535 13.34389 5003 1448 TIP3 H1 0.68210 -14.59578 12.90642 SOLV 1535 12.90642 5004 1448 TIP3 H2 0.08861 -14.77088 14.27167 SOLV 1535 14.27167 5005 1449 TIP3 OH2 -6.36890 -17.30621 14.95746 SOLV 1536 14.95746 5006 1449 TIP3 H1 -5.40546 -17.15930 15.15760 SOLV 1536 15.15760 5007 1449 TIP3 H2 -6.40514 -18.13051 14.39218 SOLV 1536 14.39218 5008 1450 TIP3 OH2 0.64226 -9.67229 11.90698 SOLV 1537 11.90698 5009 1450 TIP3 H1 0.14150 -10.38040 12.33219 SOLV 1537 12.33219 5010 1450 TIP3 H2 1.51419 -10.15783 11.81179 SOLV 1537 11.81179 5011 1451 TIP3 OH2 5.68694 -17.01193 15.14814 SOLV 1538 15.14814 5012 1451 TIP3 H1 5.71605 -16.88726 16.13122 SOLV 1538 16.13122 5013 1451 TIP3 H2 5.41793 -16.09539 14.82183 SOLV 1538 14.82183 5014 1452 TIP3 OH2 4.97351 -14.28516 16.47132 SOLV 1539 16.47132 5015 1452 TIP3 H1 4.70627 -15.21816 16.78281 SOLV 1539 16.78281 5016 1452 TIP3 H2 5.82326 -14.30929 16.85265 SOLV 1539 16.85265 5017 1453 TIP3 OH2 2.87413 -10.90859 12.37660 SOLV 1540 12.37660 5018 1453 TIP3 H1 3.33419 -11.37437 13.11200 SOLV 1540 13.11200 5019 1453 TIP3 H2 3.58247 -10.90657 11.73375 SOLV 1540 11.73375 5020 1454 TIP3 OH2 4.20242 -12.16581 14.41427 SOLV 1541 14.41427 5021 1454 TIP3 H1 4.24242 -12.90873 14.96543 SOLV 1541 14.96543 5022 1454 TIP3 H2 4.55921 -11.52731 15.04747 SOLV 1541 15.04747 5023 1455 TIP3 OH2 5.01163 -11.42705 10.74387 SOLV 1542 10.74387 5024 1455 TIP3 H1 5.63924 -10.84874 10.23930 SOLV 1542 10.23930 5025 1455 TIP3 H2 5.67790 -12.02380 11.21147 SOLV 1542 11.21147 5026 1456 TIP3 OH2 4.30517 -11.51223 17.23163 SOLV 1543 17.23163 5027 1456 TIP3 H1 5.02234 -12.15157 17.17039 SOLV 1543 17.17039 5028 1456 TIP3 H2 4.73226 -10.80507 17.70155 SOLV 1543 17.70155 5029 1457 TIP3 OH2 -5.35650 -13.37295 15.98437 SOLV 1544 15.98437 5030 1457 TIP3 H1 -5.45511 -13.13822 15.02786 SOLV 1544 15.02786 5031 1457 TIP3 H2 -4.74183 -12.66758 16.19665 SOLV 1544 16.19665 5032 1458 TIP3 OH2 6.35286 -13.39064 11.77846 SOLV 1545 11.77846 5033 1458 TIP3 H1 5.52646 -13.57497 12.25690 SOLV 1545 12.25690 5034 1458 TIP3 H2 7.05885 -13.57615 12.44415 SOLV 1545 12.44415 5035 1459 TIP3 OH2 2.45333 -13.76230 12.72370 SOLV 1546 12.72370 5036 1459 TIP3 H1 2.97518 -13.61943 13.56824 SOLV 1546 13.56824 5037 1459 TIP3 H2 2.30516 -12.83942 12.43503 SOLV 1546 12.43503 5038 1460 TIP3 OH2 -5.53559 -14.00143 12.20138 SOLV 1547 12.20138 5039 1460 TIP3 H1 -5.30498 -13.16334 11.87738 SOLV 1547 11.87738 5040 1460 TIP3 H2 -4.64164 -14.20343 12.56116 SOLV 1547 12.56116 5041 1461 TIP3 OH2 8.55304 -17.35984 14.69107 SOLV 1548 14.69107 5042 1461 TIP3 H1 8.56180 -17.80390 15.59859 SOLV 1548 15.59859 5043 1461 TIP3 H2 9.35075 -17.77982 14.42173 SOLV 1548 14.42173 5044 1462 TIP3 OH2 -2.87351 -15.19466 16.44084 SOLV 1549 16.44084 5045 1462 TIP3 H1 -2.84426 -14.66020 15.57208 SOLV 1549 15.57208 5046 1462 TIP3 H2 -3.22070 -14.52570 16.98222 SOLV 1549 16.98222 5047 1463 TIP3 OH2 3.01159 -17.12351 11.86792 SOLV 1550 11.86792 5048 1463 TIP3 H1 3.47185 -17.14825 11.07050 SOLV 1550 11.07050 5049 1463 TIP3 H2 2.11424 -16.79250 11.58672 SOLV 1550 11.58672 5050 1464 TIP3 OH2 -6.54974 -10.02763 15.95212 SOLV 1551 15.95212 5051 1464 TIP3 H1 -6.30914 -9.17063 15.61950 SOLV 1551 15.61950 5052 1464 TIP3 H2 -7.51170 -10.17571 15.64765 SOLV 1551 15.64765 5053 1465 TIP3 OH2 8.81430 -16.63134 11.31861 SOLV 1552 11.31861 5054 1465 TIP3 H1 9.73575 -16.65330 11.72594 SOLV 1552 11.72594 5055 1465 TIP3 H2 9.01946 -15.98288 10.62906 SOLV 1552 10.62906 5056 1466 TIP3 OH2 8.04649 -15.36822 16.82881 SOLV 1553 16.82881 5057 1466 TIP3 H1 7.94430 -15.52096 15.86029 SOLV 1553 15.86029 5058 1466 TIP3 H2 8.55517 -16.17430 16.98463 SOLV 1553 16.98463 5059 1467 TIP3 OH2 -3.00633 -11.53866 16.87460 SOLV 1554 16.87460 5060 1467 TIP3 H1 -3.74651 -10.91457 16.93549 SOLV 1554 16.93549 5061 1467 TIP3 H2 -2.59795 -11.49184 17.74390 SOLV 1554 17.74390 5062 1468 TIP3 OH2 8.70615 -12.47207 16.28581 SOLV 1555 16.28581 5063 1468 TIP3 H1 8.03660 -11.93722 16.73936 SOLV 1555 16.73936 5064 1468 TIP3 H2 9.05663 -11.84791 15.65262 SOLV 1555 15.65262 5065 1469 TIP3 OH2 -3.57169 -17.50403 15.07970 SOLV 1556 15.07970 5066 1469 TIP3 H1 -2.80890 -18.03561 14.74683 SOLV 1556 14.74683 5067 1469 TIP3 H2 -3.09443 -16.70797 15.53523 SOLV 1556 15.53523 5068 1470 TIP3 OH2 4.92317 -16.48439 17.95278 SOLV 1557 17.95278 5069 1470 TIP3 H1 5.05951 -16.10192 18.81796 SOLV 1557 18.81796 5070 1470 TIP3 H2 4.60189 -17.38380 18.27430 SOLV 1557 18.27430 5071 1471 TIP3 OH2 -2.39795 -9.26597 13.59325 SOLV 1558 13.59325 5072 1471 TIP3 H1 -1.83101 -10.08528 13.90706 SOLV 1558 13.90706 5073 1471 TIP3 H2 -1.75514 -8.61563 13.75450 SOLV 1558 13.75450 5074 1472 TIP3 OH2 8.35577 -13.70165 13.65104 SOLV 1559 13.65104 5075 1472 TIP3 H1 9.04510 -14.34281 13.49836 SOLV 1559 13.49836 5076 1472 TIP3 H2 8.60959 -13.34420 14.52417 SOLV 1559 14.52417 5077 1473 TIP3 OH2 -2.88382 -14.17604 13.85499 SOLV 1560 13.85499 5078 1473 TIP3 H1 -2.87250 -13.27291 14.18903 SOLV 1560 14.18903 5079 1473 TIP3 H2 -1.98624 -14.27812 13.59639 SOLV 1560 13.59639 5080 1474 TIP3 OH2 -7.61862 -14.46500 17.29467 SOLV 1561 17.29467 5081 1474 TIP3 H1 -8.43998 -14.27871 16.76927 SOLV 1561 16.76927 5082 1474 TIP3 H2 -6.95846 -14.06203 16.66430 SOLV 1561 16.66430 5083 1475 TIP3 OH2 2.60629 -5.91867 14.07825 SOLV 1562 14.07825 5084 1475 TIP3 H1 2.13300 -6.07011 14.93702 SOLV 1562 14.93702 5085 1475 TIP3 H2 3.42135 -6.40882 14.31434 SOLV 1562 14.31434 5086 1476 TIP3 OH2 1.19465 3.50756 10.74676 SOLV 1563 10.74676 5087 1476 TIP3 H1 1.69822 4.02423 11.42267 SOLV 1563 11.42267 5088 1476 TIP3 H2 1.67065 3.74117 9.94021 SOLV 1563 9.94021 5089 1477 TIP3 OH2 -0.08685 -4.30121 14.76954 SOLV 1564 14.76954 5090 1477 TIP3 H1 -1.00773 -4.50185 14.49777 SOLV 1564 14.49777 5091 1477 TIP3 H2 -0.27004 -3.68706 15.51347 SOLV 1564 15.51347 5092 1478 TIP3 OH2 -8.71209 -7.79280 9.72826 SOLV 1565 9.72826 5093 1478 TIP3 H1 -8.67978 -6.81318 9.46170 SOLV 1565 9.46170 5094 1478 TIP3 H2 -9.01650 -8.18651 8.91381 SOLV 1565 8.91381 5095 1479 TIP3 OH2 3.28156 -3.58976 11.53355 SOLV 1566 11.53355 5096 1479 TIP3 H1 3.33105 -2.96974 10.78623 SOLV 1566 10.78623 5097 1479 TIP3 H2 3.67924 -4.43964 11.17722 SOLV 1566 11.17722 5098 1480 TIP3 OH2 -6.24792 -4.68709 11.44015 SOLV 1567 11.44015 5099 1480 TIP3 H1 -6.76800 -5.50700 11.73696 SOLV 1567 11.73696 5100 1480 TIP3 H2 -6.89818 -4.24063 10.82475 SOLV 1567 10.82475 5101 1481 TIP3 OH2 -2.33492 1.63780 8.93937 SOLV 1568 8.93937 5102 1481 TIP3 H1 -2.05063 2.12276 9.72625 SOLV 1568 9.72625 5103 1481 TIP3 H2 -2.75792 0.73382 9.24624 SOLV 1568 9.24624 5104 1482 TIP3 OH2 -0.28351 7.58671 15.99094 SOLV 1569 15.99094 5105 1482 TIP3 H1 -1.15348 7.26448 16.29792 SOLV 1569 16.29792 5106 1482 TIP3 H2 0.34813 7.29752 16.72198 SOLV 1569 16.72198 5107 1483 TIP3 OH2 -1.39188 2.81827 11.19967 SOLV 1570 11.19967 5108 1483 TIP3 H1 -1.25230 3.22037 12.09791 SOLV 1570 12.09791 5109 1483 TIP3 H2 -0.40509 3.04000 11.06180 SOLV 1570 11.06180 5110 1484 TIP3 OH2 -7.73042 -2.39179 10.44118 SOLV 1571 10.44118 5111 1484 TIP3 H1 -8.59948 -2.01572 10.27840 SOLV 1571 10.27840 5112 1484 TIP3 H2 -7.09521 -1.64399 10.65407 SOLV 1571 10.65407 5113 1485 TIP3 OH2 -8.21119 1.55820 17.46866 SOLV 1572 17.46866 5114 1485 TIP3 H1 -8.16765 2.42946 17.58978 SOLV 1572 17.58978 5115 1485 TIP3 H2 -7.29652 1.31936 17.30927 SOLV 1572 17.30927 5116 1486 TIP3 OH2 -7.41911 2.45391 12.07788 SOLV 1573 12.07788 5117 1486 TIP3 H1 -7.61747 2.68554 12.99352 SOLV 1573 12.99352 5118 1486 TIP3 H2 -6.80383 3.23227 12.00039 SOLV 1573 12.00039 5119 1487 TIP3 OH2 9.26574 7.87379 14.38631 SOLV 1574 14.38631 5120 1487 TIP3 H1 9.56323 7.52745 13.51557 SOLV 1574 13.51557 5121 1487 TIP3 H2 8.53444 8.42567 14.11448 SOLV 1574 14.11448 5122 1488 TIP3 OH2 -7.28661 -7.21211 15.97519 SOLV 1575 15.97519 5123 1488 TIP3 H1 -7.63255 -7.50128 16.90142 SOLV 1575 16.90142 5124 1488 TIP3 H2 -8.12453 -6.97378 15.53962 SOLV 1575 15.53962 5125 1489 TIP3 OH2 4.82541 -0.59008 13.03816 SOLV 1576 13.03816 5126 1489 TIP3 H1 4.64295 -1.54521 12.75027 SOLV 1576 12.75027 5127 1489 TIP3 H2 4.76683 -0.04501 12.21610 SOLV 1576 12.21610 5128 1490 TIP3 OH2 -2.54104 -0.51664 12.01966 SOLV 1577 12.01966 5129 1490 TIP3 H1 -2.43350 -0.64163 12.99035 SOLV 1577 12.99035 5130 1490 TIP3 H2 -3.29537 0.03671 11.89395 SOLV 1577 11.89395 5131 1491 TIP3 OH2 -7.47990 7.25424 11.80890 SOLV 1578 11.80890 5132 1491 TIP3 H1 -7.14834 7.93702 11.26949 SOLV 1578 11.26949 5133 1491 TIP3 H2 -6.66128 6.72451 11.87018 SOLV 1578 11.87018 5134 1492 TIP3 OH2 7.67829 3.88463 9.48976 SOLV 1579 9.48976 5135 1492 TIP3 H1 6.98901 3.92428 8.82407 SOLV 1579 8.82407 5136 1492 TIP3 H2 7.33576 4.47686 10.18185 SOLV 1579 10.18185 5137 1493 TIP3 OH2 -0.45739 3.23299 17.89451 SOLV 1580 17.89451 5138 1493 TIP3 H1 -1.34827 3.23893 17.51091 SOLV 1580 17.51091 5139 1493 TIP3 H2 -0.68889 3.65579 18.75086 SOLV 1580 18.75086 5140 1494 TIP3 OH2 -4.54344 7.27725 11.42666 SOLV 1581 11.42666 5141 1494 TIP3 H1 -5.04406 8.10617 11.50281 SOLV 1581 11.50281 5142 1494 TIP3 H2 -3.83284 7.48130 10.82581 SOLV 1581 10.82581 5143 1495 TIP3 OH2 6.21233 1.38310 11.67790 SOLV 1582 11.67790 5144 1495 TIP3 H1 5.80884 1.51720 10.81552 SOLV 1582 10.81552 5145 1495 TIP3 H2 7.09600 1.80788 11.53515 SOLV 1582 11.53515 5146 1496 TIP3 OH2 -4.78408 -6.26688 15.28505 SOLV 1583 15.28505 5147 1496 TIP3 H1 -4.74115 -6.89687 14.57533 SOLV 1583 14.57533 5148 1496 TIP3 H2 -5.75214 -6.46810 15.37979 SOLV 1583 15.37979 5149 1497 TIP3 OH2 0.14663 -1.54519 9.59682 SOLV 1584 9.59682 5150 1497 TIP3 H1 0.61678 -2.37499 9.28779 SOLV 1584 9.28779 5151 1497 TIP3 H2 -0.70175 -1.90122 9.61257 SOLV 1584 9.61257 5152 1498 TIP3 OH2 8.91927 -0.46554 10.22875 SOLV 1585 10.22875 5153 1498 TIP3 H1 8.64312 0.23254 10.77927 SOLV 1585 10.77927 5154 1498 TIP3 H2 9.47801 -0.04733 9.50909 SOLV 1585 9.50909 5155 1499 TIP3 OH2 -0.69948 7.02329 13.31718 SOLV 1586 13.31718 5156 1499 TIP3 H1 -0.48888 6.10029 13.13678 SOLV 1586 13.13678 5157 1499 TIP3 H2 -0.21234 7.23038 14.11069 SOLV 1586 14.11069 5158 1500 TIP3 OH2 -0.14068 -4.37304 11.85944 SOLV 1587 11.85944 5159 1500 TIP3 H1 -0.49724 -5.26518 12.08008 SOLV 1587 12.08008 5160 1500 TIP3 H2 -0.76719 -4.14789 11.15787 SOLV 1587 11.15787 5161 1501 TIP3 OH2 3.74399 -8.68305 13.67438 SOLV 1588 13.67438 5162 1501 TIP3 H1 3.18632 -9.28464 13.15746 SOLV 1588 13.15746 5163 1501 TIP3 H2 3.26482 -8.76689 14.52817 SOLV 1588 14.52817 5164 1502 TIP3 OH2 7.69096 -8.14999 16.26351 SOLV 1589 16.26351 5165 1502 TIP3 H1 8.40452 -7.63414 15.99148 SOLV 1589 15.99148 5166 1502 TIP3 H2 7.41752 -8.55328 15.41394 SOLV 1589 15.41394 5167 1503 TIP3 OH2 7.16346 -9.18490 13.47621 SOLV 1590 13.47621 5168 1503 TIP3 H1 7.14589 -8.43252 12.79585 SOLV 1590 12.79585 5169 1503 TIP3 H2 6.27733 -9.00195 13.77628 SOLV 1590 13.77628 5170 1504 TIP3 OH2 0.52265 -0.71540 16.30051 SOLV 1591 16.30051 5171 1504 TIP3 H1 1.16419 -0.26591 15.68463 SOLV 1591 15.68463 5172 1504 TIP3 H2 0.98203 -0.66985 17.17147 SOLV 1591 17.17147 5173 1505 TIP3 OH2 -3.30309 -7.08919 17.74107 SOLV 1592 17.74107 5174 1505 TIP3 H1 -3.87120 -7.88711 17.78840 SOLV 1592 17.78840 5175 1505 TIP3 H2 -3.36795 -6.89297 16.79230 SOLV 1592 16.79230 5176 1506 TIP3 OH2 1.31930 3.46080 15.64091 SOLV 1593 15.64091 5177 1506 TIP3 H1 2.10504 3.17945 16.09554 SOLV 1593 16.09554 5178 1506 TIP3 H2 0.56917 3.18625 16.19979 SOLV 1593 16.19979 5179 1507 TIP3 OH2 9.03917 7.02129 10.27964 SOLV 1594 10.27964 5180 1507 TIP3 H1 8.43727 6.62935 10.90631 SOLV 1594 10.90631 5181 1507 TIP3 H2 9.81986 7.20406 10.84167 SOLV 1594 10.84167 5182 1508 TIP3 OH2 7.12234 8.08153 17.78079 SOLV 1595 17.78079 5183 1508 TIP3 H1 7.33706 9.02419 17.45251 SOLV 1595 17.45251 5184 1508 TIP3 H2 6.43163 8.42744 18.47922 SOLV 1595 18.47922 5185 1509 TIP3 OH2 8.58352 -3.42228 16.81465 SOLV 1596 16.81465 5186 1509 TIP3 H1 8.61637 -2.80573 17.56122 SOLV 1596 17.56122 5187 1509 TIP3 H2 9.45340 -3.72879 16.74670 SOLV 1596 16.74670 5188 1510 TIP3 OH2 1.45710 -6.33433 10.20121 SOLV 1597 10.20121 5189 1510 TIP3 H1 1.11304 -5.99146 11.08264 SOLV 1597 11.08264 5190 1510 TIP3 H2 2.41953 -6.28868 10.50945 SOLV 1597 10.50945 5191 1511 TIP3 OH2 4.75976 3.42998 13.20469 SOLV 1598 13.20469 5192 1511 TIP3 H1 3.91754 3.14391 12.94184 SOLV 1598 12.94184 5193 1511 TIP3 H2 5.28830 2.91366 12.62247 SOLV 1598 12.62247 5194 1512 TIP3 OH2 5.32512 -5.19057 13.94533 SOLV 1599 13.94533 5195 1512 TIP3 H1 4.73267 -4.45202 13.94744 SOLV 1599 13.94744 5196 1512 TIP3 H2 5.21282 -5.55742 13.00774 SOLV 1599 13.00774 5197 1513 TIP3 OH2 6.65376 -1.62206 15.69176 SOLV 1600 15.69176 5198 1513 TIP3 H1 7.49707 -2.09665 15.54577 SOLV 1600 15.54577 5199 1513 TIP3 H2 7.06181 -0.98495 16.27949 SOLV 1600 16.27949 5200 1514 TIP3 OH2 -0.30908 -8.48098 15.50216 SOLV 1601 15.50216 5201 1514 TIP3 H1 -0.53515 -9.43046 15.75092 SOLV 1601 15.75092 5202 1514 TIP3 H2 0.62562 -8.46468 15.79945 SOLV 1601 15.79945 5203 1515 TIP3 OH2 -8.26068 3.31977 14.42296 SOLV 1602 14.42296 5204 1515 TIP3 H1 -7.55344 2.66012 14.80342 SOLV 1602 14.80342 5205 1515 TIP3 H2 -8.98994 2.68658 14.38730 SOLV 1602 14.38730 5206 1516 TIP3 OH2 8.27886 -1.08341 12.87008 SOLV 1603 12.87008 5207 1516 TIP3 H1 8.51799 -0.98224 11.98671 SOLV 1603 11.98671 5208 1516 TIP3 H2 9.10293 -1.37239 13.29531 SOLV 1603 13.29531 5209 1517 TIP3 OH2 -1.11786 -2.84170 16.80304 SOLV 1604 16.80304 5210 1517 TIP3 H1 -0.68925 -3.38538 17.53774 SOLV 1604 17.53774 5211 1517 TIP3 H2 -0.59920 -2.00524 16.83178 SOLV 1604 16.83178 5212 1518 TIP3 OH2 -4.53613 1.13273 12.40379 SOLV 1605 12.40379 5213 1518 TIP3 H1 -4.43034 1.29701 13.32488 SOLV 1605 13.32488 5214 1518 TIP3 H2 -4.50223 2.01465 11.97661 SOLV 1605 11.97661 5215 1519 TIP3 OH2 7.64722 -6.61838 12.09475 SOLV 1606 12.09475 5216 1519 TIP3 H1 7.95316 -7.09588 11.24639 SOLV 1606 11.24639 5217 1519 TIP3 H2 7.50164 -5.80549 11.62899 SOLV 1606 11.62899 5218 1520 TIP3 OH2 -0.22410 3.98316 13.34389 SOLV 1607 13.34389 5219 1520 TIP3 H1 0.68210 4.05769 12.90642 SOLV 1607 12.90642 5220 1520 TIP3 H2 0.08861 3.88259 14.27167 SOLV 1607 14.27167 5221 1521 TIP3 OH2 -6.36890 1.34726 14.95746 SOLV 1608 14.95746 5222 1521 TIP3 H1 -5.40546 1.49417 15.15760 SOLV 1608 15.15760 5223 1521 TIP3 H2 -6.40514 0.52296 14.39218 SOLV 1608 14.39218 5224 1522 TIP3 OH2 0.81914 -8.76855 9.23145 SOLV 1609 9.23145 5225 1522 TIP3 H1 0.48099 -9.26238 10.02414 SOLV 1609 10.02414 5226 1522 TIP3 H2 0.77191 -7.89854 9.59186 SOLV 1609 9.59186 5227 1523 TIP3 OH2 0.64226 8.98118 11.90698 SOLV 1611 11.90698 5228 1523 TIP3 H1 0.14150 8.27307 12.33219 SOLV 1611 12.33219 5229 1523 TIP3 H2 1.51419 8.49564 11.81179 SOLV 1611 11.81179 5230 1524 TIP3 OH2 5.68694 1.64154 15.14814 SOLV 1612 15.14814 5231 1524 TIP3 H1 5.71605 1.76621 16.13122 SOLV 1612 16.13122 5232 1524 TIP3 H2 5.41793 2.55808 14.82183 SOLV 1612 14.82183 5233 1525 TIP3 OH2 -7.23353 -3.28732 13.57836 SOLV 1613 13.57836 5234 1525 TIP3 H1 -6.60832 -3.64884 12.96106 SOLV 1613 12.96106 5235 1525 TIP3 H2 -7.87195 -3.86278 13.46758 SOLV 1613 13.46758 5236 1526 TIP3 OH2 2.40307 0.27335 14.38744 SOLV 1614 14.38744 5237 1526 TIP3 H1 3.06505 0.14247 13.75395 SOLV 1614 13.75395 5238 1526 TIP3 H2 2.60179 1.18328 14.66647 SOLV 1614 14.66647 5239 1527 TIP3 OH2 -5.33045 -2.14756 15.09925 SOLV 1615 15.09925 5240 1527 TIP3 H1 -5.75816 -1.64017 15.73531 SOLV 1615 15.73531 5241 1527 TIP3 H2 -5.93710 -2.91563 14.80709 SOLV 1615 14.80709 5242 1528 TIP3 OH2 -2.24436 -2.63915 10.24228 SOLV 1616 10.24228 5243 1528 TIP3 H1 -2.38640 -1.76357 10.65696 SOLV 1616 10.65696 5244 1528 TIP3 H2 -2.66002 -3.24656 10.88634 SOLV 1616 10.88634 5245 1529 TIP3 OH2 4.97351 4.36831 16.47132 SOLV 1617 16.47132 5246 1529 TIP3 H1 4.70627 3.43531 16.78281 SOLV 1617 16.78281 5247 1529 TIP3 H2 5.82326 4.34418 16.85265 SOLV 1617 16.85265 5248 1530 TIP3 OH2 -3.62618 -4.95848 11.79199 SOLV 1618 11.79199 5249 1530 TIP3 H1 -4.58603 -4.77426 11.58586 SOLV 1618 11.58586 5250 1530 TIP3 H2 -3.49174 -5.81350 11.29122 SOLV 1618 11.29122 5251 1531 TIP3 OH2 2.87413 7.74488 12.37660 SOLV 1619 12.37660 5252 1531 TIP3 H1 3.33419 7.27910 13.11200 SOLV 1619 13.11200 5253 1531 TIP3 H2 3.58247 7.74690 11.73375 SOLV 1619 11.73375 5254 1532 TIP3 OH2 4.20242 6.48766 14.41427 SOLV 1620 14.41427 5255 1532 TIP3 H1 4.24242 5.74474 14.96543 SOLV 1620 14.96543 5256 1532 TIP3 H2 4.55921 7.12616 15.04747 SOLV 1620 15.04747 5257 1533 TIP3 OH2 5.01163 7.22642 10.74387 SOLV 1621 10.74387 5258 1533 TIP3 H1 5.63924 7.80473 10.23930 SOLV 1621 10.23930 5259 1533 TIP3 H2 5.67790 6.62967 11.21147 SOLV 1621 11.21147 5260 1534 TIP3 OH2 8.09855 0.00206 17.30640 SOLV 1622 17.30640 5261 1534 TIP3 H1 7.76048 0.33722 18.17568 SOLV 1622 18.17568 5262 1534 TIP3 H2 9.05386 0.01565 17.54959 SOLV 1622 17.54959 5263 1535 TIP3 OH2 4.30517 7.14124 17.23163 SOLV 1623 17.23163 5264 1535 TIP3 H1 5.02234 6.50190 17.17039 SOLV 1623 17.17039 5265 1535 TIP3 H2 4.73226 7.84840 17.70155 SOLV 1623 17.70155 5266 1536 TIP3 OH2 -8.32463 -0.95612 15.02022 SOLV 1624 15.02022 5267 1536 TIP3 H1 -8.00418 -1.81329 14.58324 SOLV 1624 14.58324 5268 1536 TIP3 H2 -7.72384 -0.97639 15.78288 SOLV 1624 15.78288 5269 1537 TIP3 OH2 -3.43335 -0.84835 17.37094 SOLV 1625 17.37094 5270 1537 TIP3 H1 -3.73175 -0.07463 16.91840 SOLV 1625 16.91840 5271 1537 TIP3 H2 -3.20690 -0.52579 18.26142 SOLV 1625 18.26142 5272 1538 TIP3 OH2 -5.35650 5.28052 15.98437 SOLV 1626 15.98437 5273 1538 TIP3 H1 -5.45511 5.51525 15.02786 SOLV 1626 15.02786 5274 1538 TIP3 H2 -4.74183 5.98589 16.19665 SOLV 1626 16.19665 5275 1539 TIP3 OH2 6.35286 5.26283 11.77846 SOLV 1627 11.77846 5276 1539 TIP3 H1 5.52646 5.07850 12.25690 SOLV 1627 12.25690 5277 1539 TIP3 H2 7.05885 5.07732 12.44415 SOLV 1627 12.44415 5278 1540 TIP3 OH2 2.45333 4.89117 12.72370 SOLV 1628 12.72370 5279 1540 TIP3 H1 2.97518 5.03404 13.56824 SOLV 1628 13.56824 5280 1540 TIP3 H2 2.30516 5.81405 12.43503 SOLV 1628 12.43503 5281 1541 TIP3 OH2 -3.03595 -4.23891 14.48319 SOLV 1629 14.48319 5282 1541 TIP3 H1 -3.79243 -4.76905 14.71852 SOLV 1629 14.71852 5283 1541 TIP3 H2 -3.05724 -4.31856 13.46213 SOLV 1629 13.46213 5284 1542 TIP3 OH2 -6.53508 -9.22338 10.48471 SOLV 1630 10.48471 5285 1542 TIP3 H1 -7.23909 -8.57598 10.18331 SOLV 1630 10.18331 5286 1542 TIP3 H2 -6.17562 -9.34760 9.58889 SOLV 1630 9.58889 5287 1543 TIP3 OH2 -5.53559 4.65204 12.20138 SOLV 1631 12.20138 5288 1543 TIP3 H1 -5.30498 5.49013 11.87738 SOLV 1631 11.87738 5289 1543 TIP3 H2 -4.64164 4.45004 12.56116 SOLV 1631 12.56116 5290 1544 TIP3 OH2 8.55304 1.29363 14.69107 SOLV 1632 14.69107 5291 1544 TIP3 H1 8.56180 0.84957 15.59859 SOLV 1632 15.59859 5292 1544 TIP3 H2 9.35075 0.87365 14.42173 SOLV 1632 14.42173 5293 1545 TIP3 OH2 -6.74866 -1.01906 17.30042 SOLV 1633 17.30042 5294 1545 TIP3 H1 -7.62404 -1.28856 17.61269 SOLV 1633 17.61269 5295 1545 TIP3 H2 -6.32343 -0.70458 18.07362 SOLV 1633 18.07362 5296 1546 TIP3 OH2 -2.87351 3.45881 16.44084 SOLV 1634 16.44084 5297 1546 TIP3 H1 -2.84426 3.99327 15.57208 SOLV 1634 15.57208 5298 1546 TIP3 H2 -3.22070 4.12777 16.98222 SOLV 1634 16.98222 5299 1547 TIP3 OH2 0.67205 -1.77744 12.64937 SOLV 1635 12.64937 5300 1547 TIP3 H1 0.34116 -1.89933 11.77521 SOLV 1635 11.77521 5301 1547 TIP3 H2 0.75642 -0.82416 12.61442 SOLV 1635 12.61442 5302 1548 TIP3 OH2 3.01159 1.52996 11.86792 SOLV 1636 11.86792 5303 1548 TIP3 H1 3.47185 1.50522 11.07050 SOLV 1636 11.07050 5304 1548 TIP3 H2 2.11424 1.86097 11.58672 SOLV 1636 11.58672 5305 1549 TIP3 OH2 4.38029 -6.73914 16.17368 SOLV 1637 16.17368 5306 1549 TIP3 H1 5.00769 -6.56705 16.88122 SOLV 1637 16.88122 5307 1549 TIP3 H2 4.93681 -6.46145 15.41007 SOLV 1637 15.41007 5308 1550 TIP3 OH2 -6.54974 8.62584 15.95212 SOLV 1638 15.95212 5309 1550 TIP3 H1 -6.30914 9.48284 15.61950 SOLV 1638 15.61950 5310 1550 TIP3 H2 -7.51170 8.47776 15.64765 SOLV 1638 15.64765 5311 1551 TIP3 OH2 8.81430 2.02213 11.31861 SOLV 1639 11.31861 5312 1551 TIP3 H1 9.73575 2.00017 11.72594 SOLV 1639 11.72594 5313 1551 TIP3 H2 9.01946 2.67059 10.62906 SOLV 1639 10.62906 5314 1552 TIP3 OH2 -0.49519 -6.17243 17.66811 SOLV 1640 17.66811 5315 1552 TIP3 H1 -0.01067 -6.70411 16.99083 SOLV 1640 16.99083 5316 1552 TIP3 H2 -1.39744 -6.52391 17.61620 SOLV 1640 17.61620 5317 1553 TIP3 OH2 8.04649 3.28525 16.82881 SOLV 1641 16.82881 5318 1553 TIP3 H1 7.94430 3.13251 15.86029 SOLV 1641 15.86029 5319 1553 TIP3 H2 8.55517 2.47917 16.98463 SOLV 1641 16.98463 5320 1554 TIP3 OH2 -3.00633 7.11481 16.87460 SOLV 1642 16.87460 5321 1554 TIP3 H1 -3.74651 7.73890 16.93549 SOLV 1642 16.93549 5322 1554 TIP3 H2 -2.59795 7.16163 17.74390 SOLV 1642 17.74390 5323 1555 TIP3 OH2 8.70615 6.18140 16.28581 SOLV 1643 16.28581 5324 1555 TIP3 H1 8.03660 6.71625 16.73936 SOLV 1643 16.73936 5325 1555 TIP3 H2 9.05663 6.80556 15.65262 SOLV 1643 15.65262 5326 1556 TIP3 OH2 4.03061 -6.43018 11.37287 SOLV 1644 11.37287 5327 1556 TIP3 H1 4.71339 -6.88834 10.82271 SOLV 1644 10.82271 5328 1556 TIP3 H2 3.77041 -7.15071 11.98916 SOLV 1644 11.98916 5329 1557 TIP3 OH2 -4.90792 -8.13304 13.23327 SOLV 1645 13.23327 5330 1557 TIP3 H1 -4.20134 -8.75726 13.47111 SOLV 1645 13.47111 5331 1557 TIP3 H2 -4.61414 -7.88429 12.34187 SOLV 1645 12.34187 5332 1558 TIP3 OH2 2.92149 -2.74515 14.81715 SOLV 1646 14.81715 5333 1558 TIP3 H1 2.86565 -1.78690 14.80056 SOLV 1646 14.80056 5334 1558 TIP3 H2 3.46993 -2.85268 15.67760 SOLV 1646 15.67760 5335 1559 TIP3 OH2 2.38178 -8.31900 16.08830 SOLV 1647 16.08830 5336 1559 TIP3 H1 2.19556 -8.74192 16.99620 SOLV 1647 16.99620 5337 1559 TIP3 H2 3.10749 -7.70698 16.40785 SOLV 1647 16.40785 5338 1560 TIP3 OH2 -3.57169 1.14944 15.07970 SOLV 1648 15.07970 5339 1560 TIP3 H1 -2.80890 0.61786 14.74683 SOLV 1648 14.74683 5340 1560 TIP3 H2 -3.09443 1.94550 15.53523 SOLV 1648 15.53523 5341 1561 TIP3 OH2 8.49669 -4.52303 10.57893 SOLV 1649 10.57893 5342 1561 TIP3 H1 8.49983 -3.59379 10.71422 SOLV 1649 10.71422 5343 1561 TIP3 H2 9.09209 -4.69441 9.83817 SOLV 1649 9.83817 5344 1562 TIP3 OH2 4.92317 2.16908 17.95278 SOLV 1650 17.95278 5345 1562 TIP3 H1 5.05951 2.55155 18.81796 SOLV 1650 18.81796 5346 1562 TIP3 H2 4.60189 1.26967 18.27430 SOLV 1650 18.27430 5347 1563 TIP3 OH2 -2.39795 9.38750 13.59325 SOLV 1651 13.59325 5348 1563 TIP3 H1 -1.83101 8.56819 13.90706 SOLV 1651 13.90706 5349 1563 TIP3 H2 -1.75514 10.03784 13.75450 SOLV 1651 13.75450 5350 1564 TIP3 OH2 0.15268 -6.86432 12.84249 SOLV 1652 12.84249 5351 1564 TIP3 H1 1.05051 -6.78923 13.24622 SOLV 1652 13.24622 5352 1564 TIP3 H2 -0.08950 -7.82725 12.81118 SOLV 1652 12.81118 5353 1565 TIP3 OH2 -7.53056 -4.23411 17.57234 SOLV 1653 17.57234 5354 1565 TIP3 H1 -7.59601 -5.05558 17.10780 SOLV 1653 17.10780 5355 1565 TIP3 H2 -6.57810 -3.98848 17.45929 SOLV 1653 17.45929 5356 1566 TIP3 OH2 -4.70129 -4.20338 17.01817 SOLV 1654 17.01817 5357 1566 TIP3 H1 -4.14505 -4.72657 17.65533 SOLV 1654 17.65533 5358 1566 TIP3 H2 -4.75924 -4.84087 16.26602 SOLV 1654 16.26602 5359 1567 TIP3 OH2 8.35577 4.95182 13.65104 SOLV 1655 13.65104 5360 1567 TIP3 H1 9.04510 4.31066 13.49836 SOLV 1655 13.49836 5361 1567 TIP3 H2 8.60959 5.30927 14.52417 SOLV 1655 14.52417 5362 1568 TIP3 OH2 -2.88382 4.47743 13.85499 SOLV 1656 13.85499 5363 1568 TIP3 H1 -2.87250 5.38056 14.18903 SOLV 1656 14.18903 5364 1568 TIP3 H2 -1.98624 4.37535 13.59639 SOLV 1656 13.59639 5365 1569 TIP3 OH2 -7.22669 -6.94206 12.52443 SOLV 1657 12.52443 5366 1569 TIP3 H1 -7.71252 -7.76062 12.19453 SOLV 1657 12.19453 5367 1569 TIP3 H2 -6.40422 -7.34894 12.83702 SOLV 1657 12.83702 5368 1570 TIP3 OH2 8.93792 -6.43175 14.53834 SOLV 1658 14.53834 5369 1570 TIP3 H1 8.96695 -6.79442 13.57814 SOLV 1658 13.57814 5370 1570 TIP3 H2 8.24791 -5.74293 14.51494 SOLV 1658 14.51494 5371 1571 TIP3 OH2 -7.61862 4.18847 17.29467 SOLV 1659 17.29467 5372 1571 TIP3 H1 -8.43998 4.37476 16.76927 SOLV 1659 16.76927 5373 1571 TIP3 H2 -6.95846 4.59144 16.66430 SOLV 1659 16.66430 5374 1572 TIP3 OH2 -1.77651 -1.03349 14.56892 SOLV 1660 14.56892 5375 1572 TIP3 H1 -1.05506 -0.58146 15.06752 SOLV 1660 15.06752 5376 1572 TIP3 H2 -1.32188 -1.69559 14.04372 SOLV 1660 14.04372 5377 1573 TIP3 OH2 -4.23668 -7.34486 10.38082 SOLV 1661 10.38082 5378 1573 TIP3 H1 -4.08136 -7.20310 9.44164 SOLV 1661 9.44164 5379 1573 TIP3 H2 -4.96168 -7.99626 10.29329 SOLV 1661 10.29329 5380 1574 TIP3 OH2 -2.11487 -9.26682 10.72137 SOLV 1662 10.72137 5381 1574 TIP3 H1 -2.68680 -8.47480 10.71253 SOLV 1662 10.71253 5382 1574 TIP3 H2 -2.04165 -9.53119 11.71315 SOLV 1662 11.71315 5383 1575 TIP3 OH2 4.92308 -3.32177 16.61500 SOLV 1663 16.61500 5384 1575 TIP3 H1 4.98130 -4.13924 16.11178 SOLV 1663 16.11178 5385 1575 TIP3 H2 5.70478 -2.79885 16.29925 SOLV 1663 16.29925 5386 1576 SOD SOD -3.21138 -2.43307 15.99527 SOLV 1664 15.99527 5387 1577 SOD SOD 6.69064 0.31837 13.83374 SOLV 1665 13.83374 5388 1578 SOD SOD 1.51232 -3.76721 13.25000 SOLV 1666 13.25000 5389 1579 TIP3 OH2 2.60629 12.73480 14.07825 SOLV 1667 14.07825 5390 1579 TIP3 H1 2.13300 12.58336 14.93702 SOLV 1667 14.93702 5391 1579 TIP3 H2 3.42135 12.24465 14.31434 SOLV 1667 14.31434 5392 1580 TIP3 OH2 -0.08685 14.35226 14.76954 SOLV 1668 14.76954 5393 1580 TIP3 H1 -1.00773 14.15162 14.49777 SOLV 1668 14.49777 5394 1580 TIP3 H2 -0.27004 14.96641 15.51347 SOLV 1668 15.51347 5395 1581 TIP3 OH2 -8.71209 10.86067 9.72826 SOLV 1669 9.72826 5396 1581 TIP3 H1 -8.67978 11.84029 9.46170 SOLV 1669 9.46170 5397 1581 TIP3 H2 -9.01650 10.46696 8.91381 SOLV 1669 8.91381 5398 1582 TIP3 OH2 3.28156 15.06371 11.53355 SOLV 1670 11.53355 5399 1582 TIP3 H1 3.33105 15.68373 10.78623 SOLV 1670 10.78623 5400 1582 TIP3 H2 3.67924 14.21383 11.17722 SOLV 1670 11.17722 5401 1583 TIP3 OH2 -6.24792 13.96638 11.44015 SOLV 1671 11.44015 5402 1583 TIP3 H1 -6.76800 13.14647 11.73696 SOLV 1671 11.73696 5403 1583 TIP3 H2 -6.89818 14.41284 10.82475 SOLV 1671 10.82475 5404 1584 TIP3 OH2 -7.73042 16.26168 10.44118 SOLV 1672 10.44118 5405 1584 TIP3 H1 -8.59948 16.63775 10.27840 SOLV 1672 10.27840 5406 1584 TIP3 H2 -7.09521 17.00948 10.65407 SOLV 1672 10.65407 5407 1585 TIP3 OH2 -7.28661 11.44136 15.97519 SOLV 1673 15.97519 5408 1585 TIP3 H1 -7.63255 11.15219 16.90142 SOLV 1673 16.90142 5409 1585 TIP3 H2 -8.12453 11.67969 15.53962 SOLV 1673 15.53962 5410 1586 TIP3 OH2 -4.78408 12.38659 15.28505 SOLV 1674 15.28505 5411 1586 TIP3 H1 -4.74115 11.75660 14.57533 SOLV 1674 14.57533 5412 1586 TIP3 H2 -5.75214 12.18537 15.37979 SOLV 1674 15.37979 5413 1587 TIP3 OH2 0.14663 17.10828 9.59682 SOLV 1675 9.59682 5414 1587 TIP3 H1 0.61678 16.27848 9.28779 SOLV 1675 9.28779 5415 1587 TIP3 H2 -0.70175 16.75225 9.61257 SOLV 1675 9.61257 5416 1588 TIP3 OH2 -0.14068 14.28043 11.85944 SOLV 1676 11.85944 5417 1588 TIP3 H1 -0.49724 13.38829 12.08008 SOLV 1676 12.08008 5418 1588 TIP3 H2 -0.76719 14.50558 11.15787 SOLV 1676 11.15787 5419 1589 TIP3 OH2 3.74399 9.97042 13.67438 SOLV 1677 13.67438 5420 1589 TIP3 H1 3.18632 9.36883 13.15746 SOLV 1677 13.15746 5421 1589 TIP3 H2 3.26482 9.88658 14.52817 SOLV 1677 14.52817 5422 1590 TIP3 OH2 7.69096 10.50348 16.26351 SOLV 1678 16.26351 5423 1590 TIP3 H1 8.40452 11.01933 15.99148 SOLV 1678 15.99148 5424 1590 TIP3 H2 7.41752 10.10019 15.41394 SOLV 1678 15.41394 5425 1591 TIP3 OH2 7.16346 9.46857 13.47621 SOLV 1679 13.47621 5426 1591 TIP3 H1 7.14589 10.22095 12.79585 SOLV 1679 12.79585 5427 1591 TIP3 H2 6.27733 9.65152 13.77628 SOLV 1679 13.77628 5428 1592 TIP3 OH2 0.52265 17.93807 16.30051 SOLV 1680 16.30051 5429 1592 TIP3 H1 1.16419 18.38756 15.68463 SOLV 1680 15.68463 5430 1592 TIP3 H2 0.98203 17.98362 17.17147 SOLV 1680 17.17147 5431 1593 TIP3 OH2 -3.30309 11.56428 17.74107 SOLV 1681 17.74107 5432 1593 TIP3 H1 -3.87120 10.76636 17.78840 SOLV 1681 17.78840 5433 1593 TIP3 H2 -3.36795 11.76050 16.79230 SOLV 1681 16.79230 5434 1594 TIP3 OH2 8.58352 15.23119 16.81465 SOLV 1682 16.81465 5435 1594 TIP3 H1 8.61637 15.84774 17.56122 SOLV 1682 17.56122 5436 1594 TIP3 H2 9.45340 14.92468 16.74670 SOLV 1682 16.74670 5437 1595 TIP3 OH2 1.45710 12.31914 10.20121 SOLV 1683 10.20121 5438 1595 TIP3 H1 1.11304 12.66201 11.08264 SOLV 1683 11.08264 5439 1595 TIP3 H2 2.41953 12.36479 10.50945 SOLV 1683 10.50945 5440 1596 TIP3 OH2 5.32512 13.46290 13.94533 SOLV 1684 13.94533 5441 1596 TIP3 H1 4.73267 14.20145 13.94744 SOLV 1684 13.94744 5442 1596 TIP3 H2 5.21282 13.09605 13.00774 SOLV 1684 13.00774 5443 1597 TIP3 OH2 6.65376 17.03141 15.69176 SOLV 1685 15.69176 5444 1597 TIP3 H1 7.49707 16.55682 15.54577 SOLV 1685 15.54577 5445 1597 TIP3 H2 7.06181 17.66852 16.27949 SOLV 1685 16.27949 5446 1598 TIP3 OH2 -0.30908 10.17249 15.50216 SOLV 1686 15.50216 5447 1598 TIP3 H1 -0.53515 9.22301 15.75092 SOLV 1686 15.75092 5448 1598 TIP3 H2 0.62562 10.18879 15.79945 SOLV 1686 15.79945 5449 1599 TIP3 OH2 8.27886 17.57006 12.87008 SOLV 1687 12.87008 5450 1599 TIP3 H1 8.51799 17.67123 11.98671 SOLV 1687 11.98671 5451 1599 TIP3 H2 9.10293 17.28108 13.29531 SOLV 1687 13.29531 5452 1600 TIP3 OH2 -1.11786 15.81177 16.80304 SOLV 1688 16.80304 5453 1600 TIP3 H1 -0.68925 15.26809 17.53774 SOLV 1688 17.53774 5454 1600 TIP3 H2 -0.59920 16.64823 16.83178 SOLV 1688 16.83178 5455 1601 TIP3 OH2 7.64722 12.03509 12.09475 SOLV 1689 12.09475 5456 1601 TIP3 H1 7.95316 11.55759 11.24639 SOLV 1689 11.24639 5457 1601 TIP3 H2 7.50164 12.84798 11.62899 SOLV 1689 11.62899 5458 1602 TIP3 OH2 0.81914 9.88492 9.23145 SOLV 1690 9.23145 5459 1602 TIP3 H1 0.48099 9.39109 10.02414 SOLV 1690 10.02414 5460 1602 TIP3 H2 0.77191 10.75493 9.59186 SOLV 1690 9.59186 5461 1603 TIP3 OH2 -7.23353 15.36615 13.57836 SOLV 1691 13.57836 5462 1603 TIP3 H1 -6.60832 15.00463 12.96106 SOLV 1691 12.96106 5463 1603 TIP3 H2 -7.87195 14.79069 13.46758 SOLV 1691 13.46758 5464 1604 TIP3 OH2 -5.33045 16.50591 15.09925 SOLV 1692 15.09925 5465 1604 TIP3 H1 -5.75816 17.01330 15.73531 SOLV 1692 15.73531 5466 1604 TIP3 H2 -5.93710 15.73784 14.80709 SOLV 1692 14.80709 5467 1605 TIP3 OH2 -2.24436 16.01432 10.24228 SOLV 1693 10.24228 5468 1605 TIP3 H1 -2.38640 16.88990 10.65696 SOLV 1693 10.65696 5469 1605 TIP3 H2 -2.66002 15.40691 10.88634 SOLV 1693 10.88634 5470 1606 TIP3 OH2 -3.62618 13.69499 11.79199 SOLV 1694 11.79199 5471 1606 TIP3 H1 -4.58603 13.87921 11.58586 SOLV 1694 11.58586 5472 1606 TIP3 H2 -3.49174 12.83997 11.29122 SOLV 1694 11.29122 5473 1607 TIP3 OH2 -8.32463 17.69735 15.02022 SOLV 1695 15.02022 5474 1607 TIP3 H1 -8.00418 16.84018 14.58324 SOLV 1695 14.58324 5475 1607 TIP3 H2 -7.72384 17.67708 15.78288 SOLV 1695 15.78288 5476 1608 TIP3 OH2 -3.43335 17.80512 17.37094 SOLV 1696 17.37094 5477 1608 TIP3 H1 -3.73175 18.57884 16.91840 SOLV 1696 16.91840 5478 1608 TIP3 H2 -3.20690 18.12768 18.26142 SOLV 1696 18.26142 5479 1609 TIP3 OH2 -3.03595 14.41456 14.48319 SOLV 1697 14.48319 5480 1609 TIP3 H1 -3.79243 13.88442 14.71852 SOLV 1697 14.71852 5481 1609 TIP3 H2 -3.05724 14.33491 13.46213 SOLV 1697 13.46213 5482 1610 TIP3 OH2 -6.53508 9.43009 10.48471 SOLV 1698 10.48471 5483 1610 TIP3 H1 -7.23909 10.07749 10.18331 SOLV 1698 10.18331 5484 1610 TIP3 H2 -6.17562 9.30587 9.58889 SOLV 1698 9.58889 5485 1611 TIP3 OH2 -6.74866 17.63441 17.30042 SOLV 1699 17.30042 5486 1611 TIP3 H1 -7.62404 17.36491 17.61269 SOLV 1699 17.61269 5487 1611 TIP3 H2 -6.32343 17.94889 18.07362 SOLV 1699 18.07362 5488 1612 TIP3 OH2 0.67205 16.87603 12.64937 SOLV 1700 12.64937 5489 1612 TIP3 H1 0.34116 16.75414 11.77521 SOLV 1700 11.77521 5490 1612 TIP3 H2 0.75642 17.82931 12.61442 SOLV 1700 12.61442 5491 1613 TIP3 OH2 4.38029 11.91433 16.17368 SOLV 1701 16.17368 5492 1613 TIP3 H1 5.00769 12.08642 16.88122 SOLV 1701 16.88122 5493 1613 TIP3 H2 4.93681 12.19202 15.41007 SOLV 1701 15.41007 5494 1614 TIP3 OH2 -0.49519 12.48104 17.66811 SOLV 1702 17.66811 5495 1614 TIP3 H1 -0.01067 11.94936 16.99083 SOLV 1702 16.99083 5496 1614 TIP3 H2 -1.39744 12.12956 17.61620 SOLV 1702 17.61620 5497 1615 TIP3 OH2 4.03061 12.22329 11.37287 SOLV 1703 11.37287 5498 1615 TIP3 H1 4.71339 11.76513 10.82271 SOLV 1703 10.82271 5499 1615 TIP3 H2 3.77041 11.50276 11.98916 SOLV 1703 11.98916 5500 1616 TIP3 OH2 -4.90792 10.52043 13.23327 SOLV 1704 13.23327 5501 1616 TIP3 H1 -4.20134 9.89621 13.47111 SOLV 1704 13.47111 5502 1616 TIP3 H2 -4.61414 10.76918 12.34187 SOLV 1704 12.34187 5503 1617 TIP3 OH2 2.92149 15.90832 14.81715 SOLV 1705 14.81715 5504 1617 TIP3 H1 2.86565 16.86657 14.80056 SOLV 1705 14.80056 5505 1617 TIP3 H2 3.46993 15.80079 15.67760 SOLV 1705 15.67760 5506 1618 TIP3 OH2 2.38178 10.33447 16.08830 SOLV 1706 16.08830 5507 1618 TIP3 H1 2.19556 9.91155 16.99620 SOLV 1706 16.99620 5508 1618 TIP3 H2 3.10749 10.94649 16.40785 SOLV 1706 16.40785 5509 1619 TIP3 OH2 8.49669 14.13044 10.57893 SOLV 1707 10.57893 5510 1619 TIP3 H1 8.49983 15.05968 10.71422 SOLV 1707 10.71422 5511 1619 TIP3 H2 9.09209 13.95906 9.83817 SOLV 1707 9.83817 5512 1620 TIP3 OH2 0.15268 11.78915 12.84249 SOLV 1708 12.84249 5513 1620 TIP3 H1 1.05051 11.86424 13.24622 SOLV 1708 13.24622 5514 1620 TIP3 H2 -0.08950 10.82622 12.81118 SOLV 1708 12.81118 5515 1621 TIP3 OH2 -7.53056 14.41936 17.57234 SOLV 1709 17.57234 5516 1621 TIP3 H1 -7.59601 13.59789 17.10780 SOLV 1709 17.10780 5517 1621 TIP3 H2 -6.57810 14.66499 17.45929 SOLV 1709 17.45929 5518 1622 TIP3 OH2 -4.70129 14.45009 17.01817 SOLV 1710 17.01817 5519 1622 TIP3 H1 -4.14505 13.92690 17.65533 SOLV 1710 17.65533 5520 1622 TIP3 H2 -4.75924 13.81260 16.26602 SOLV 1710 16.26602 5521 1623 TIP3 OH2 -7.22669 11.71141 12.52443 SOLV 1711 12.52443 5522 1623 TIP3 H1 -7.71252 10.89285 12.19453 SOLV 1711 12.19453 5523 1623 TIP3 H2 -6.40422 11.30453 12.83702 SOLV 1711 12.83702 5524 1624 TIP3 OH2 8.93792 12.22172 14.53834 SOLV 1712 14.53834 5525 1624 TIP3 H1 8.96695 11.85905 13.57814 SOLV 1712 13.57814 5526 1624 TIP3 H2 8.24791 12.91054 14.51494 SOLV 1712 14.51494 5527 1625 TIP3 OH2 -1.77651 17.61998 14.56892 SOLV 1713 14.56892 5528 1625 TIP3 H1 -1.05506 18.07201 15.06752 SOLV 1713 15.06752 5529 1625 TIP3 H2 -1.32188 16.95788 14.04372 SOLV 1713 14.04372 5530 1626 TIP3 OH2 -4.23668 11.30861 10.38082 SOLV 1714 10.38082 5531 1626 TIP3 H1 -4.08136 11.45037 9.44164 SOLV 1714 9.44164 5532 1626 TIP3 H2 -4.96168 10.65721 10.29329 SOLV 1714 10.29329 5533 1627 TIP3 OH2 -2.11487 9.38665 10.72137 SOLV 1715 10.72137 5534 1627 TIP3 H1 -2.68680 10.17867 10.71253 SOLV 1715 10.71253 5535 1627 TIP3 H2 -2.04165 9.12228 11.71315 SOLV 1715 11.71315 5536 1628 TIP3 OH2 4.92308 15.33170 16.61500 SOLV 1716 16.61500 5537 1628 TIP3 H1 4.98130 14.51423 16.11178 SOLV 1716 16.11178 5538 1628 TIP3 H2 5.70478 15.85462 16.29925 SOLV 1716 16.29925 5539 1629 TIP3 OH2 28.59485 10.86067 9.72826 SOLV 1719 9.72826 5540 1629 TIP3 H1 28.62716 11.84029 9.46170 SOLV 1719 9.46170 5541 1629 TIP3 H2 28.29044 10.46696 8.91381 SOLV 1719 8.91381 5542 1630 TIP3 OH2 29.57652 16.26168 10.44118 SOLV 1720 10.44118 5543 1630 TIP3 H1 28.70746 16.63775 10.27840 SOLV 1720 10.27840 5544 1630 TIP3 H2 30.21173 17.00948 10.65407 SOLV 1720 10.65407 5545 1631 TIP3 OH2 28.98231 17.69735 15.02022 SOLV 1721 15.02022 5546 1631 TIP3 H1 29.30276 16.84018 14.58324 SOLV 1721 14.58324 5547 1631 TIP3 H2 29.58310 17.67708 15.78288 SOLV 1721 15.78288 5548 1632 TIP3 OH2 29.77638 14.41936 17.57234 SOLV 1722 17.57234 5549 1632 TIP3 H1 29.71093 13.59789 17.10780 SOLV 1722 17.10780 5550 1632 TIP3 H2 30.72884 14.66499 17.45929 SOLV 1722 17.45929 5551 1633 TIP3 OH2 28.59485 -7.79280 9.72826 SOLV 1723 9.72826 5552 1633 TIP3 H1 28.62716 -6.81318 9.46170 SOLV 1723 9.46170 5553 1633 TIP3 H2 28.29044 -8.18651 8.91381 SOLV 1723 8.91381 5554 1634 TIP3 OH2 29.57652 -2.39179 10.44118 SOLV 1724 10.44118 5555 1634 TIP3 H1 28.70746 -2.01572 10.27840 SOLV 1724 10.27840 5556 1634 TIP3 H2 30.21173 -1.64399 10.65407 SOLV 1724 10.65407 5557 1635 TIP3 OH2 29.09575 1.55820 17.46866 SOLV 1725 17.46866 5558 1635 TIP3 H1 29.13929 2.42946 17.58978 SOLV 1725 17.58978 5559 1635 TIP3 H2 30.01042 1.31936 17.30927 SOLV 1725 17.30927 5560 1636 TIP3 OH2 29.88783 2.45391 12.07788 SOLV 1726 12.07788 5561 1636 TIP3 H1 29.68947 2.68554 12.99352 SOLV 1726 12.99352 5562 1636 TIP3 H2 30.50311 3.23227 12.00039 SOLV 1726 12.00039 5563 1637 TIP3 OH2 29.82704 7.25424 11.80890 SOLV 1727 11.80890 5564 1637 TIP3 H1 30.15860 7.93702 11.26949 SOLV 1727 11.26949 5565 1637 TIP3 H2 30.64566 6.72451 11.87018 SOLV 1727 11.87018 5566 1638 TIP3 OH2 29.04626 3.31977 14.42296 SOLV 1728 14.42296 5567 1638 TIP3 H1 29.75350 2.66012 14.80342 SOLV 1728 14.80342 5568 1638 TIP3 H2 28.31700 2.68658 14.38730 SOLV 1728 14.38730 5569 1639 TIP3 OH2 28.98231 -0.95612 15.02022 SOLV 1729 15.02022 5570 1639 TIP3 H1 29.30276 -1.81329 14.58324 SOLV 1729 14.58324 5571 1639 TIP3 H2 29.58310 -0.97639 15.78288 SOLV 1729 15.78288 5572 1640 TIP3 OH2 29.77638 -4.23411 17.57234 SOLV 1730 17.57234 5573 1640 TIP3 H1 29.71093 -5.05558 17.10780 SOLV 1730 17.10780 5574 1640 TIP3 H2 30.72884 -3.98848 17.45929 SOLV 1730 17.45929 5575 1641 TIP3 OH2 29.68832 4.18847 17.29467 SOLV 1731 17.29467 5576 1641 TIP3 H1 28.86696 4.37476 16.76927 SOLV 1731 16.76927 5577 1641 TIP3 H2 30.34848 4.59144 16.66430 SOLV 1731 16.66430 5578 1642 TIP3 OH2 29.09575 -17.09527 17.46866 SOLV 1732 17.46866 5579 1642 TIP3 H1 29.13929 -16.22401 17.58978 SOLV 1732 17.58978 5580 1642 TIP3 H2 30.01042 -17.33411 17.30927 SOLV 1732 17.30927 5581 1643 TIP3 OH2 29.88783 -16.19956 12.07788 SOLV 1733 12.07788 5582 1643 TIP3 H1 29.68947 -15.96793 12.99352 SOLV 1733 12.99352 5583 1643 TIP3 H2 30.50311 -15.42120 12.00039 SOLV 1733 12.00039 5584 1644 TIP3 OH2 29.82704 -11.39923 11.80890 SOLV 1734 11.80890 5585 1644 TIP3 H1 30.15860 -10.71645 11.26949 SOLV 1734 11.26949 5586 1644 TIP3 H2 30.64566 -11.92896 11.87018 SOLV 1734 11.87018 5587 1645 TIP3 OH2 29.04626 -15.33370 14.42296 SOLV 1735 14.42296 5588 1645 TIP3 H1 29.75350 -15.99335 14.80342 SOLV 1735 14.80342 5589 1645 TIP3 H2 28.31700 -15.96689 14.38730 SOLV 1735 14.38730 5590 1646 TIP3 OH2 29.68832 -14.46500 17.29467 SOLV 1736 17.29467 5591 1646 TIP3 H1 28.86696 -14.27871 16.76927 SOLV 1736 16.76927 5592 1646 TIP3 H2 30.34848 -14.06203 16.66430 SOLV 1736 16.66430 5593 1647 TIP3 OH2 21.25976 12.73480 14.07825 SOLV 1737 14.07825 5594 1647 TIP3 H1 20.78647 12.58336 14.93702 SOLV 1737 14.93702 5595 1647 TIP3 H2 22.07482 12.24465 14.31434 SOLV 1737 14.31434 5596 1648 TIP3 OH2 18.56662 14.35226 14.76954 SOLV 1738 14.76954 5597 1648 TIP3 H1 17.64574 14.15162 14.49777 SOLV 1738 14.49777 5598 1648 TIP3 H2 18.38343 14.96641 15.51347 SOLV 1738 15.51347 5599 1649 TIP3 OH2 9.94138 10.86067 9.72826 SOLV 1739 9.72826 5600 1649 TIP3 H1 9.97369 11.84029 9.46170 SOLV 1739 9.46170 5601 1649 TIP3 H2 9.63697 10.46696 8.91381 SOLV 1739 8.91381 5602 1650 TIP3 OH2 21.93503 15.06371 11.53355 SOLV 1740 11.53355 5603 1650 TIP3 H1 21.98452 15.68373 10.78623 SOLV 1740 10.78623 5604 1650 TIP3 H2 22.33271 14.21383 11.17722 SOLV 1740 11.17722 5605 1651 TIP3 OH2 12.40555 13.96638 11.44015 SOLV 1741 11.44015 5606 1651 TIP3 H1 11.88547 13.14647 11.73696 SOLV 1741 11.73696 5607 1651 TIP3 H2 11.75529 14.41284 10.82475 SOLV 1741 10.82475 5608 1652 TIP3 OH2 10.92305 16.26168 10.44118 SOLV 1742 10.44118 5609 1652 TIP3 H1 10.05399 16.63775 10.27840 SOLV 1742 10.27840 5610 1652 TIP3 H2 11.55826 17.00948 10.65407 SOLV 1742 10.65407 5611 1653 TIP3 OH2 11.36686 11.44136 15.97519 SOLV 1743 15.97519 5612 1653 TIP3 H1 11.02092 11.15219 16.90142 SOLV 1743 16.90142 5613 1653 TIP3 H2 10.52894 11.67969 15.53962 SOLV 1743 15.53962 5614 1654 TIP3 OH2 13.86939 12.38659 15.28505 SOLV 1744 15.28505 5615 1654 TIP3 H1 13.91232 11.75660 14.57533 SOLV 1744 14.57533 5616 1654 TIP3 H2 12.90133 12.18537 15.37979 SOLV 1744 15.37979 5617 1655 TIP3 OH2 18.80010 17.10828 9.59682 SOLV 1745 9.59682 5618 1655 TIP3 H1 19.27025 16.27848 9.28779 SOLV 1745 9.28779 5619 1655 TIP3 H2 17.95172 16.75225 9.61257 SOLV 1745 9.61257 5620 1656 TIP3 OH2 18.51279 14.28043 11.85944 SOLV 1746 11.85944 5621 1656 TIP3 H1 18.15623 13.38829 12.08008 SOLV 1746 12.08008 5622 1656 TIP3 H2 17.88628 14.50558 11.15787 SOLV 1746 11.15787 5623 1657 TIP3 OH2 22.39746 9.97042 13.67438 SOLV 1747 13.67438 5624 1657 TIP3 H1 21.83979 9.36883 13.15746 SOLV 1747 13.15746 5625 1657 TIP3 H2 21.91829 9.88658 14.52817 SOLV 1747 14.52817 5626 1658 TIP3 OH2 26.34443 10.50348 16.26351 SOLV 1748 16.26351 5627 1658 TIP3 H1 27.05799 11.01933 15.99148 SOLV 1748 15.99148 5628 1658 TIP3 H2 26.07099 10.10019 15.41394 SOLV 1748 15.41394 5629 1659 TIP3 OH2 25.81693 9.46857 13.47621 SOLV 1749 13.47621 5630 1659 TIP3 H1 25.79936 10.22095 12.79585 SOLV 1749 12.79585 5631 1659 TIP3 H2 24.93080 9.65152 13.77628 SOLV 1749 13.77628 5632 1660 TIP3 OH2 19.17612 17.93807 16.30051 SOLV 1750 16.30051 5633 1660 TIP3 H1 19.81766 18.38756 15.68463 SOLV 1750 15.68463 5634 1660 TIP3 H2 19.63550 17.98362 17.17147 SOLV 1750 17.17147 5635 1661 TIP3 OH2 15.35038 11.56428 17.74107 SOLV 1751 17.74107 5636 1661 TIP3 H1 14.78227 10.76636 17.78840 SOLV 1751 17.78840 5637 1661 TIP3 H2 15.28552 11.76050 16.79230 SOLV 1751 16.79230 5638 1662 TIP3 OH2 27.23699 15.23119 16.81465 SOLV 1752 16.81465 5639 1662 TIP3 H1 27.26984 15.84774 17.56122 SOLV 1752 17.56122 5640 1662 TIP3 H2 28.10687 14.92468 16.74670 SOLV 1752 16.74670 5641 1663 TIP3 OH2 20.11057 12.31914 10.20121 SOLV 1753 10.20121 5642 1663 TIP3 H1 19.76651 12.66201 11.08264 SOLV 1753 11.08264 5643 1663 TIP3 H2 21.07300 12.36479 10.50945 SOLV 1753 10.50945 5644 1664 TIP3 OH2 23.97859 13.46290 13.94533 SOLV 1754 13.94533 5645 1664 TIP3 H1 23.38614 14.20145 13.94744 SOLV 1754 13.94744 5646 1664 TIP3 H2 23.86629 13.09605 13.00774 SOLV 1754 13.00774 5647 1665 TIP3 OH2 25.30723 17.03141 15.69176 SOLV 1755 15.69176 5648 1665 TIP3 H1 26.15054 16.55682 15.54577 SOLV 1755 15.54577 5649 1665 TIP3 H2 25.71528 17.66852 16.27949 SOLV 1755 16.27949 5650 1666 TIP3 OH2 18.34439 10.17249 15.50216 SOLV 1756 15.50216 5651 1666 TIP3 H1 18.11832 9.22301 15.75092 SOLV 1756 15.75092 5652 1666 TIP3 H2 19.27909 10.18879 15.79945 SOLV 1756 15.79945 5653 1667 TIP3 OH2 26.93233 17.57006 12.87008 SOLV 1757 12.87008 5654 1667 TIP3 H1 27.17146 17.67123 11.98671 SOLV 1757 11.98671 5655 1667 TIP3 H2 27.75640 17.28108 13.29531 SOLV 1757 13.29531 5656 1668 TIP3 OH2 17.53561 15.81177 16.80304 SOLV 1758 16.80304 5657 1668 TIP3 H1 17.96422 15.26809 17.53774 SOLV 1758 17.53774 5658 1668 TIP3 H2 18.05427 16.64823 16.83178 SOLV 1758 16.83178 5659 1669 TIP3 OH2 26.30069 12.03509 12.09475 SOLV 1759 12.09475 5660 1669 TIP3 H1 26.60663 11.55759 11.24639 SOLV 1759 11.24639 5661 1669 TIP3 H2 26.15511 12.84798 11.62899 SOLV 1759 11.62899 5662 1670 TIP3 OH2 19.47261 9.88492 9.23145 SOLV 1760 9.23145 5663 1670 TIP3 H1 19.13446 9.39109 10.02414 SOLV 1760 10.02414 5664 1670 TIP3 H2 19.42538 10.75493 9.59186 SOLV 1760 9.59186 5665 1671 TIP3 OH2 11.41994 15.36615 13.57836 SOLV 1761 13.57836 5666 1671 TIP3 H1 12.04515 15.00463 12.96106 SOLV 1761 12.96106 5667 1671 TIP3 H2 10.78152 14.79069 13.46758 SOLV 1761 13.46758 5668 1672 TIP3 OH2 13.32302 16.50591 15.09925 SOLV 1762 15.09925 5669 1672 TIP3 H1 12.89531 17.01330 15.73531 SOLV 1762 15.73531 5670 1672 TIP3 H2 12.71637 15.73784 14.80709 SOLV 1762 14.80709 5671 1673 TIP3 OH2 16.40911 16.01432 10.24228 SOLV 1763 10.24228 5672 1673 TIP3 H1 16.26707 16.88990 10.65696 SOLV 1763 10.65696 5673 1673 TIP3 H2 15.99345 15.40691 10.88634 SOLV 1763 10.88634 5674 1674 TIP3 OH2 15.02729 13.69499 11.79199 SOLV 1764 11.79199 5675 1674 TIP3 H1 14.06744 13.87921 11.58586 SOLV 1764 11.58586 5676 1674 TIP3 H2 15.16173 12.83997 11.29122 SOLV 1764 11.29122 5677 1675 TIP3 OH2 10.32884 17.69735 15.02022 SOLV 1765 15.02022 5678 1675 TIP3 H1 10.64929 16.84018 14.58324 SOLV 1765 14.58324 5679 1675 TIP3 H2 10.92963 17.67708 15.78288 SOLV 1765 15.78288 5680 1676 TIP3 OH2 15.22012 17.80512 17.37094 SOLV 1766 17.37094 5681 1676 TIP3 H1 14.92172 18.57884 16.91840 SOLV 1766 16.91840 5682 1676 TIP3 H2 15.44657 18.12768 18.26142 SOLV 1766 18.26142 5683 1677 TIP3 OH2 15.61752 14.41456 14.48319 SOLV 1767 14.48319 5684 1677 TIP3 H1 14.86104 13.88442 14.71852 SOLV 1767 14.71852 5685 1677 TIP3 H2 15.59623 14.33491 13.46213 SOLV 1767 13.46213 5686 1678 TIP3 OH2 12.11839 9.43009 10.48471 SOLV 1768 10.48471 5687 1678 TIP3 H1 11.41438 10.07749 10.18331 SOLV 1768 10.18331 5688 1678 TIP3 H2 12.47785 9.30587 9.58889 SOLV 1768 9.58889 5689 1679 TIP3 OH2 11.90481 17.63441 17.30042 SOLV 1769 17.30042 5690 1679 TIP3 H1 11.02943 17.36491 17.61269 SOLV 1769 17.61269 5691 1679 TIP3 H2 12.33004 17.94889 18.07362 SOLV 1769 18.07362 5692 1680 TIP3 OH2 19.32552 16.87603 12.64937 SOLV 1770 12.64937 5693 1680 TIP3 H1 18.99463 16.75414 11.77521 SOLV 1770 11.77521 5694 1680 TIP3 H2 19.40989 17.82931 12.61442 SOLV 1770 12.61442 5695 1681 TIP3 OH2 23.03376 11.91433 16.17368 SOLV 1771 16.17368 5696 1681 TIP3 H1 23.66116 12.08642 16.88122 SOLV 1771 16.88122 5697 1681 TIP3 H2 23.59028 12.19202 15.41007 SOLV 1771 15.41007 5698 1682 TIP3 OH2 18.15828 12.48104 17.66811 SOLV 1772 17.66811 5699 1682 TIP3 H1 18.64280 11.94936 16.99083 SOLV 1772 16.99083 5700 1682 TIP3 H2 17.25603 12.12956 17.61620 SOLV 1772 17.61620 5701 1683 TIP3 OH2 22.68408 12.22329 11.37287 SOLV 1773 11.37287 5702 1683 TIP3 H1 23.36686 11.76513 10.82271 SOLV 1773 10.82271 5703 1683 TIP3 H2 22.42388 11.50276 11.98916 SOLV 1773 11.98916 5704 1684 TIP3 OH2 13.74555 10.52043 13.23327 SOLV 1774 13.23327 5705 1684 TIP3 H1 14.45213 9.89621 13.47111 SOLV 1774 13.47111 5706 1684 TIP3 H2 14.03933 10.76918 12.34187 SOLV 1774 12.34187 5707 1685 TIP3 OH2 21.57496 15.90832 14.81715 SOLV 1775 14.81715 5708 1685 TIP3 H1 21.51912 16.86657 14.80056 SOLV 1775 14.80056 5709 1685 TIP3 H2 22.12340 15.80079 15.67760 SOLV 1775 15.67760 5710 1686 TIP3 OH2 21.03525 10.33447 16.08830 SOLV 1776 16.08830 5711 1686 TIP3 H1 20.84903 9.91155 16.99620 SOLV 1776 16.99620 5712 1686 TIP3 H2 21.76096 10.94649 16.40785 SOLV 1776 16.40785 5713 1687 TIP3 OH2 27.15016 14.13044 10.57893 SOLV 1777 10.57893 5714 1687 TIP3 H1 27.15330 15.05968 10.71422 SOLV 1777 10.71422 5715 1687 TIP3 H2 27.74556 13.95906 9.83817 SOLV 1777 9.83817 5716 1688 TIP3 OH2 18.80615 11.78915 12.84249 SOLV 1778 12.84249 5717 1688 TIP3 H1 19.70398 11.86424 13.24622 SOLV 1778 13.24622 5718 1688 TIP3 H2 18.56397 10.82622 12.81118 SOLV 1778 12.81118 5719 1689 TIP3 OH2 11.12291 14.41936 17.57234 SOLV 1779 17.57234 5720 1689 TIP3 H1 11.05746 13.59789 17.10780 SOLV 1779 17.10780 5721 1689 TIP3 H2 12.07537 14.66499 17.45929 SOLV 1779 17.45929 5722 1690 TIP3 OH2 13.95218 14.45009 17.01817 SOLV 1780 17.01817 5723 1690 TIP3 H1 14.50842 13.92690 17.65533 SOLV 1780 17.65533 5724 1690 TIP3 H2 13.89423 13.81260 16.26602 SOLV 1780 16.26602 5725 1691 TIP3 OH2 11.42678 11.71141 12.52443 SOLV 1781 12.52443 5726 1691 TIP3 H1 10.94095 10.89285 12.19453 SOLV 1781 12.19453 5727 1691 TIP3 H2 12.24925 11.30453 12.83702 SOLV 1781 12.83702 5728 1692 TIP3 OH2 27.59139 12.22172 14.53834 SOLV 1782 14.53834 5729 1692 TIP3 H1 27.62042 11.85905 13.57814 SOLV 1782 13.57814 5730 1692 TIP3 H2 26.90138 12.91054 14.51494 SOLV 1782 14.51494 5731 1693 TIP3 OH2 16.87696 17.61998 14.56892 SOLV 1783 14.56892 5732 1693 TIP3 H1 17.59841 18.07201 15.06752 SOLV 1783 15.06752 5733 1693 TIP3 H2 17.33159 16.95788 14.04372 SOLV 1783 14.04372 5734 1694 TIP3 OH2 14.41679 11.30861 10.38082 SOLV 1784 10.38082 5735 1694 TIP3 H1 14.57211 11.45037 9.44164 SOLV 1784 9.44164 5736 1694 TIP3 H2 13.69179 10.65721 10.29329 SOLV 1784 10.29329 5737 1695 TIP3 OH2 16.53860 9.38665 10.72137 SOLV 1785 10.72137 5738 1695 TIP3 H1 15.96667 10.17867 10.71253 SOLV 1785 10.71253 5739 1695 TIP3 H2 16.61182 9.12228 11.71315 SOLV 1785 11.71315 5740 1696 TIP3 OH2 23.57655 15.33170 16.61500 SOLV 1786 16.61500 5741 1696 TIP3 H1 23.63477 14.51423 16.11178 SOLV 1786 16.11178 5742 1696 TIP3 H2 24.35825 15.85462 16.29925 SOLV 1786 16.29925 5743 1697 TIP3 OH2 21.25976 -5.91867 14.07825 SOLV 1789 14.07825 5744 1697 TIP3 H1 20.78647 -6.07011 14.93702 SOLV 1789 14.93702 5745 1697 TIP3 H2 22.07482 -6.40882 14.31434 SOLV 1789 14.31434 5746 1698 TIP3 OH2 19.84812 3.50756 10.74676 SOLV 1790 10.74676 5747 1698 TIP3 H1 20.35169 4.02423 11.42267 SOLV 1790 11.42267 5748 1698 TIP3 H2 20.32412 3.74117 9.94021 SOLV 1790 9.94021 5749 1699 TIP3 OH2 18.56662 -4.30121 14.76954 SOLV 1791 14.76954 5750 1699 TIP3 H1 17.64574 -4.50185 14.49777 SOLV 1791 14.49777 5751 1699 TIP3 H2 18.38343 -3.68706 15.51347 SOLV 1791 15.51347 5752 1700 TIP3 OH2 9.94138 -7.79280 9.72826 SOLV 1792 9.72826 5753 1700 TIP3 H1 9.97369 -6.81318 9.46170 SOLV 1792 9.46170 5754 1700 TIP3 H2 9.63697 -8.18651 8.91381 SOLV 1792 8.91381 5755 1701 TIP3 OH2 21.93503 -3.58976 11.53355 SOLV 1793 11.53355 5756 1701 TIP3 H1 21.98452 -2.96974 10.78623 SOLV 1793 10.78623 5757 1701 TIP3 H2 22.33271 -4.43964 11.17722 SOLV 1793 11.17722 5758 1702 TIP3 OH2 12.40555 -4.68709 11.44015 SOLV 1794 11.44015 5759 1702 TIP3 H1 11.88547 -5.50700 11.73696 SOLV 1794 11.73696 5760 1702 TIP3 H2 11.75529 -4.24063 10.82475 SOLV 1794 10.82475 5761 1703 TIP3 OH2 16.31855 1.63780 8.93937 SOLV 1795 8.93937 5762 1703 TIP3 H1 16.60284 2.12276 9.72625 SOLV 1795 9.72625 5763 1703 TIP3 H2 15.89555 0.73382 9.24624 SOLV 1795 9.24624 5764 1704 TIP3 OH2 18.36996 7.58671 15.99094 SOLV 1796 15.99094 5765 1704 TIP3 H1 17.49999 7.26448 16.29792 SOLV 1796 16.29792 5766 1704 TIP3 H2 19.00160 7.29752 16.72198 SOLV 1796 16.72198 5767 1705 TIP3 OH2 17.26159 2.81827 11.19967 SOLV 1797 11.19967 5768 1705 TIP3 H1 17.40117 3.22037 12.09791 SOLV 1797 12.09791 5769 1705 TIP3 H2 18.24838 3.04000 11.06180 SOLV 1797 11.06180 5770 1706 TIP3 OH2 10.92305 -2.39179 10.44118 SOLV 1798 10.44118 5771 1706 TIP3 H1 10.05399 -2.01572 10.27840 SOLV 1798 10.27840 5772 1706 TIP3 H2 11.55826 -1.64399 10.65407 SOLV 1798 10.65407 5773 1707 TIP3 OH2 10.44228 1.55820 17.46866 SOLV 1799 17.46866 5774 1707 TIP3 H1 10.48582 2.42946 17.58978 SOLV 1799 17.58978 5775 1707 TIP3 H2 11.35695 1.31936 17.30927 SOLV 1799 17.30927 5776 1708 TIP3 OH2 11.23436 2.45391 12.07788 SOLV 1800 12.07788 5777 1708 TIP3 H1 11.03600 2.68554 12.99352 SOLV 1800 12.99352 5778 1708 TIP3 H2 11.84964 3.23227 12.00039 SOLV 1800 12.00039 5779 1709 TIP3 OH2 27.91921 7.87379 14.38631 SOLV 1801 14.38631 5780 1709 TIP3 H1 28.21670 7.52745 13.51557 SOLV 1801 13.51557 5781 1709 TIP3 H2 27.18791 8.42567 14.11448 SOLV 1801 14.11448 5782 1710 TIP3 OH2 11.36686 -7.21211 15.97519 SOLV 1802 15.97519 5783 1710 TIP3 H1 11.02092 -7.50128 16.90142 SOLV 1802 16.90142 5784 1710 TIP3 H2 10.52894 -6.97378 15.53962 SOLV 1802 15.53962 5785 1711 TIP3 OH2 23.47888 -0.59008 13.03816 SOLV 1803 13.03816 5786 1711 TIP3 H1 23.29642 -1.54521 12.75027 SOLV 1803 12.75027 5787 1711 TIP3 H2 23.42030 -0.04501 12.21610 SOLV 1803 12.21610 5788 1712 TIP3 OH2 16.11243 -0.51664 12.01966 SOLV 1804 12.01966 5789 1712 TIP3 H1 16.21997 -0.64163 12.99035 SOLV 1804 12.99035 5790 1712 TIP3 H2 15.35810 0.03671 11.89395 SOLV 1804 11.89395 5791 1713 TIP3 OH2 11.17357 7.25424 11.80890 SOLV 1805 11.80890 5792 1713 TIP3 H1 11.50513 7.93702 11.26949 SOLV 1805 11.26949 5793 1713 TIP3 H2 11.99219 6.72451 11.87018 SOLV 1805 11.87018 5794 1714 TIP3 OH2 26.33176 3.88463 9.48976 SOLV 1806 9.48976 5795 1714 TIP3 H1 25.64248 3.92428 8.82407 SOLV 1806 8.82407 5796 1714 TIP3 H2 25.98923 4.47686 10.18185 SOLV 1806 10.18185 5797 1715 TIP3 OH2 18.19608 3.23299 17.89451 SOLV 1807 17.89451 5798 1715 TIP3 H1 17.30520 3.23893 17.51091 SOLV 1807 17.51091 5799 1715 TIP3 H2 17.96458 3.65579 18.75086 SOLV 1807 18.75086 5800 1716 TIP3 OH2 14.11003 7.27725 11.42666 SOLV 1808 11.42666 5801 1716 TIP3 H1 13.60941 8.10617 11.50281 SOLV 1808 11.50281 5802 1716 TIP3 H2 14.82063 7.48130 10.82581 SOLV 1808 10.82581 5803 1717 TIP3 OH2 24.86580 1.38310 11.67790 SOLV 1809 11.67790 5804 1717 TIP3 H1 24.46231 1.51720 10.81552 SOLV 1809 10.81552 5805 1717 TIP3 H2 25.74947 1.80788 11.53515 SOLV 1809 11.53515 5806 1718 TIP3 OH2 13.86939 -6.26688 15.28505 SOLV 1810 15.28505 5807 1718 TIP3 H1 13.91232 -6.89687 14.57533 SOLV 1810 14.57533 5808 1718 TIP3 H2 12.90133 -6.46810 15.37979 SOLV 1810 15.37979 5809 1719 TIP3 OH2 18.80010 -1.54519 9.59682 SOLV 1811 9.59682 5810 1719 TIP3 H1 19.27025 -2.37499 9.28779 SOLV 1811 9.28779 5811 1719 TIP3 H2 17.95172 -1.90122 9.61257 SOLV 1811 9.61257 5812 1720 TIP3 OH2 27.57274 -0.46554 10.22875 SOLV 1812 10.22875 5813 1720 TIP3 H1 27.29659 0.23254 10.77927 SOLV 1812 10.77927 5814 1720 TIP3 H2 28.13148 -0.04733 9.50909 SOLV 1812 9.50909 5815 1721 TIP3 OH2 17.95399 7.02329 13.31718 SOLV 1813 13.31718 5816 1721 TIP3 H1 18.16459 6.10029 13.13678 SOLV 1813 13.13678 5817 1721 TIP3 H2 18.44113 7.23038 14.11069 SOLV 1813 14.11069 5818 1722 TIP3 OH2 18.51279 -4.37304 11.85944 SOLV 1814 11.85944 5819 1722 TIP3 H1 18.15623 -5.26518 12.08008 SOLV 1814 12.08008 5820 1722 TIP3 H2 17.88628 -4.14789 11.15787 SOLV 1814 11.15787 5821 1723 TIP3 OH2 22.39746 -8.68305 13.67438 SOLV 1815 13.67438 5822 1723 TIP3 H1 21.83979 -9.28464 13.15746 SOLV 1815 13.15746 5823 1723 TIP3 H2 21.91829 -8.76689 14.52817 SOLV 1815 14.52817 5824 1724 TIP3 OH2 26.34443 -8.14999 16.26351 SOLV 1816 16.26351 5825 1724 TIP3 H1 27.05799 -7.63414 15.99148 SOLV 1816 15.99148 5826 1724 TIP3 H2 26.07099 -8.55328 15.41394 SOLV 1816 15.41394 5827 1725 TIP3 OH2 25.81693 -9.18490 13.47621 SOLV 1817 13.47621 5828 1725 TIP3 H1 25.79936 -8.43252 12.79585 SOLV 1817 12.79585 5829 1725 TIP3 H2 24.93080 -9.00195 13.77628 SOLV 1817 13.77628 5830 1726 TIP3 OH2 19.17612 -0.71540 16.30051 SOLV 1818 16.30051 5831 1726 TIP3 H1 19.81766 -0.26591 15.68463 SOLV 1818 15.68463 5832 1726 TIP3 H2 19.63550 -0.66985 17.17147 SOLV 1818 17.17147 5833 1727 TIP3 OH2 15.35038 -7.08919 17.74107 SOLV 1819 17.74107 5834 1727 TIP3 H1 14.78227 -7.88711 17.78840 SOLV 1819 17.78840 5835 1727 TIP3 H2 15.28552 -6.89297 16.79230 SOLV 1819 16.79230 5836 1728 TIP3 OH2 19.97277 3.46080 15.64091 SOLV 1820 15.64091 5837 1728 TIP3 H1 20.75851 3.17945 16.09554 SOLV 1820 16.09554 5838 1728 TIP3 H2 19.22264 3.18625 16.19979 SOLV 1820 16.19979 5839 1729 TIP3 OH2 27.69264 7.02129 10.27964 SOLV 1821 10.27964 5840 1729 TIP3 H1 27.09074 6.62935 10.90631 SOLV 1821 10.90631 5841 1729 TIP3 H2 28.47333 7.20406 10.84167 SOLV 1821 10.84167 5842 1730 TIP3 OH2 25.77581 8.08153 17.78079 SOLV 1822 17.78079 5843 1730 TIP3 H1 25.99053 9.02419 17.45251 SOLV 1822 17.45251 5844 1730 TIP3 H2 25.08510 8.42744 18.47922 SOLV 1822 18.47922 5845 1731 TIP3 OH2 27.23699 -3.42228 16.81465 SOLV 1823 16.81465 5846 1731 TIP3 H1 27.26984 -2.80573 17.56122 SOLV 1823 17.56122 5847 1731 TIP3 H2 28.10687 -3.72879 16.74670 SOLV 1823 16.74670 5848 1732 TIP3 OH2 20.11057 -6.33433 10.20121 SOLV 1824 10.20121 5849 1732 TIP3 H1 19.76651 -5.99146 11.08264 SOLV 1824 11.08264 5850 1732 TIP3 H2 21.07300 -6.28868 10.50945 SOLV 1824 10.50945 5851 1733 TIP3 OH2 23.41323 3.42998 13.20469 SOLV 1825 13.20469 5852 1733 TIP3 H1 22.57101 3.14391 12.94184 SOLV 1825 12.94184 5853 1733 TIP3 H2 23.94177 2.91366 12.62247 SOLV 1825 12.62247 5854 1734 TIP3 OH2 23.97859 -5.19057 13.94533 SOLV 1826 13.94533 5855 1734 TIP3 H1 23.38614 -4.45202 13.94744 SOLV 1826 13.94744 5856 1734 TIP3 H2 23.86629 -5.55742 13.00774 SOLV 1826 13.00774 5857 1735 TIP3 OH2 25.30723 -1.62206 15.69176 SOLV 1827 15.69176 5858 1735 TIP3 H1 26.15054 -2.09665 15.54577 SOLV 1827 15.54577 5859 1735 TIP3 H2 25.71528 -0.98495 16.27949 SOLV 1827 16.27949 5860 1736 TIP3 OH2 18.34439 -8.48098 15.50216 SOLV 1828 15.50216 5861 1736 TIP3 H1 18.11832 -9.43046 15.75092 SOLV 1828 15.75092 5862 1736 TIP3 H2 19.27909 -8.46468 15.79945 SOLV 1828 15.79945 5863 1737 TIP3 OH2 10.39279 3.31977 14.42296 SOLV 1829 14.42296 5864 1737 TIP3 H1 11.10003 2.66012 14.80342 SOLV 1829 14.80342 5865 1737 TIP3 H2 9.66353 2.68658 14.38730 SOLV 1829 14.38730 5866 1738 TIP3 OH2 26.93233 -1.08341 12.87008 SOLV 1830 12.87008 5867 1738 TIP3 H1 27.17146 -0.98224 11.98671 SOLV 1830 11.98671 5868 1738 TIP3 H2 27.75640 -1.37239 13.29531 SOLV 1830 13.29531 5869 1739 TIP3 OH2 17.53561 -2.84170 16.80304 SOLV 1831 16.80304 5870 1739 TIP3 H1 17.96422 -3.38538 17.53774 SOLV 1831 17.53774 5871 1739 TIP3 H2 18.05427 -2.00524 16.83178 SOLV 1831 16.83178 5872 1740 TIP3 OH2 14.11734 1.13273 12.40379 SOLV 1832 12.40379 5873 1740 TIP3 H1 14.22313 1.29701 13.32488 SOLV 1832 13.32488 5874 1740 TIP3 H2 14.15124 2.01465 11.97661 SOLV 1832 11.97661 5875 1741 TIP3 OH2 26.30069 -6.61838 12.09475 SOLV 1833 12.09475 5876 1741 TIP3 H1 26.60663 -7.09588 11.24639 SOLV 1833 11.24639 5877 1741 TIP3 H2 26.15511 -5.80549 11.62899 SOLV 1833 11.62899 5878 1742 TIP3 OH2 18.42937 3.98316 13.34389 SOLV 1834 13.34389 5879 1742 TIP3 H1 19.33557 4.05769 12.90642 SOLV 1834 12.90642 5880 1742 TIP3 H2 18.74208 3.88259 14.27167 SOLV 1834 14.27167 5881 1743 TIP3 OH2 12.28457 1.34726 14.95746 SOLV 1835 14.95746 5882 1743 TIP3 H1 13.24801 1.49417 15.15760 SOLV 1835 15.15760 5883 1743 TIP3 H2 12.24833 0.52296 14.39218 SOLV 1835 14.39218 5884 1744 TIP3 OH2 19.47261 -8.76855 9.23145 SOLV 1836 9.23145 5885 1744 TIP3 H1 19.13446 -9.26238 10.02414 SOLV 1836 10.02414 5886 1744 TIP3 H2 19.42538 -7.89854 9.59186 SOLV 1836 9.59186 5887 1745 TIP3 OH2 12.17722 -0.07953 10.86134 SOLV 1837 10.86134 5888 1745 TIP3 H1 11.73768 0.73864 10.69928 SOLV 1837 10.69928 5889 1745 TIP3 H2 12.97024 0.10046 11.40197 SOLV 1837 11.40197 5890 1746 TIP3 OH2 19.29573 8.98118 11.90698 SOLV 1838 11.90698 5891 1746 TIP3 H1 18.79497 8.27307 12.33219 SOLV 1838 12.33219 5892 1746 TIP3 H2 20.16766 8.49564 11.81179 SOLV 1838 11.81179 5893 1747 TIP3 OH2 24.34041 1.64154 15.14814 SOLV 1839 15.14814 5894 1747 TIP3 H1 24.36952 1.76621 16.13122 SOLV 1839 16.13122 5895 1747 TIP3 H2 24.07140 2.55808 14.82183 SOLV 1839 14.82183 5896 1748 TIP3 OH2 11.41994 -3.28732 13.57836 SOLV 1840 13.57836 5897 1748 TIP3 H1 12.04515 -3.64884 12.96106 SOLV 1840 12.96106 5898 1748 TIP3 H2 10.78152 -3.86278 13.46758 SOLV 1840 13.46758 5899 1749 TIP3 OH2 21.05654 0.27335 14.38744 SOLV 1841 14.38744 5900 1749 TIP3 H1 21.71852 0.14247 13.75395 SOLV 1841 13.75395 5901 1749 TIP3 H2 21.25526 1.18328 14.66647 SOLV 1841 14.66647 5902 1750 TIP3 OH2 13.32302 -2.14756 15.09925 SOLV 1842 15.09925 5903 1750 TIP3 H1 12.89531 -1.64017 15.73531 SOLV 1842 15.73531 5904 1750 TIP3 H2 12.71637 -2.91563 14.80709 SOLV 1842 14.80709 5905 1751 TIP3 OH2 16.40911 -2.63915 10.24228 SOLV 1843 10.24228 5906 1751 TIP3 H1 16.26707 -1.76357 10.65696 SOLV 1843 10.65696 5907 1751 TIP3 H2 15.99345 -3.24656 10.88634 SOLV 1843 10.88634 5908 1752 TIP3 OH2 23.62698 4.36831 16.47132 SOLV 1844 16.47132 5909 1752 TIP3 H1 23.35974 3.43531 16.78281 SOLV 1844 16.78281 5910 1752 TIP3 H2 24.47673 4.34418 16.85265 SOLV 1844 16.85265 5911 1753 TIP3 OH2 15.02729 -4.95848 11.79199 SOLV 1845 11.79199 5912 1753 TIP3 H1 14.06744 -4.77426 11.58586 SOLV 1845 11.58586 5913 1753 TIP3 H2 15.16173 -5.81350 11.29122 SOLV 1845 11.29122 5914 1754 TIP3 OH2 21.52760 7.74488 12.37660 SOLV 1846 12.37660 5915 1754 TIP3 H1 21.98766 7.27910 13.11200 SOLV 1846 13.11200 5916 1754 TIP3 H2 22.23594 7.74690 11.73375 SOLV 1846 11.73375 5917 1755 TIP3 OH2 22.85589 6.48766 14.41427 SOLV 1847 14.41427 5918 1755 TIP3 H1 22.89589 5.74474 14.96543 SOLV 1847 14.96543 5919 1755 TIP3 H2 23.21268 7.12616 15.04747 SOLV 1847 15.04747 5920 1756 TIP3 OH2 23.66510 7.22642 10.74387 SOLV 1848 10.74387 5921 1756 TIP3 H1 24.29271 7.80473 10.23930 SOLV 1848 10.23930 5922 1756 TIP3 H2 24.33137 6.62967 11.21147 SOLV 1848 11.21147 5923 1757 TIP3 OH2 26.75202 0.00206 17.30640 SOLV 1849 17.30640 5924 1757 TIP3 H1 26.41395 0.33722 18.17568 SOLV 1849 18.17568 5925 1757 TIP3 H2 27.70733 0.01565 17.54959 SOLV 1849 17.54959 5926 1758 TIP3 OH2 22.95864 7.14124 17.23163 SOLV 1850 17.23163 5927 1758 TIP3 H1 23.67581 6.50190 17.17039 SOLV 1850 17.17039 5928 1758 TIP3 H2 23.38573 7.84840 17.70155 SOLV 1850 17.70155 5929 1759 TIP3 OH2 10.32884 -0.95612 15.02022 SOLV 1851 15.02022 5930 1759 TIP3 H1 10.64929 -1.81329 14.58324 SOLV 1851 14.58324 5931 1759 TIP3 H2 10.92963 -0.97639 15.78288 SOLV 1851 15.78288 5932 1760 TIP3 OH2 15.22012 -0.84835 17.37094 SOLV 1852 17.37094 5933 1760 TIP3 H1 14.92172 -0.07463 16.91840 SOLV 1852 16.91840 5934 1760 TIP3 H2 15.44657 -0.52579 18.26142 SOLV 1852 18.26142 5935 1761 TIP3 OH2 13.29697 5.28052 15.98437 SOLV 1853 15.98437 5936 1761 TIP3 H1 13.19836 5.51525 15.02786 SOLV 1853 15.02786 5937 1761 TIP3 H2 13.91164 5.98589 16.19665 SOLV 1853 16.19665 5938 1762 TIP3 OH2 25.00633 5.26283 11.77846 SOLV 1854 11.77846 5939 1762 TIP3 H1 24.17993 5.07850 12.25690 SOLV 1854 12.25690 5940 1762 TIP3 H2 25.71232 5.07732 12.44415 SOLV 1854 12.44415 5941 1763 TIP3 OH2 21.10680 4.89117 12.72370 SOLV 1855 12.72370 5942 1763 TIP3 H1 21.62865 5.03404 13.56824 SOLV 1855 13.56824 5943 1763 TIP3 H2 20.95863 5.81405 12.43503 SOLV 1855 12.43503 5944 1764 TIP3 OH2 15.61752 -4.23891 14.48319 SOLV 1856 14.48319 5945 1764 TIP3 H1 14.86104 -4.76905 14.71852 SOLV 1856 14.71852 5946 1764 TIP3 H2 15.59623 -4.31856 13.46213 SOLV 1856 13.46213 5947 1765 TIP3 OH2 12.11839 -9.22338 10.48471 SOLV 1857 10.48471 5948 1765 TIP3 H1 11.41438 -8.57598 10.18331 SOLV 1857 10.18331 5949 1765 TIP3 H2 12.47785 -9.34760 9.58889 SOLV 1857 9.58889 5950 1766 TIP3 OH2 13.11788 4.65204 12.20138 SOLV 1858 12.20138 5951 1766 TIP3 H1 13.34849 5.49013 11.87738 SOLV 1858 11.87738 5952 1766 TIP3 H2 14.01183 4.45004 12.56116 SOLV 1858 12.56116 5953 1767 TIP3 OH2 27.20651 1.29363 14.69107 SOLV 1859 14.69107 5954 1767 TIP3 H1 27.21527 0.84957 15.59859 SOLV 1859 15.59859 5955 1767 TIP3 H2 28.00422 0.87365 14.42173 SOLV 1859 14.42173 5956 1768 TIP3 OH2 11.90481 -1.01906 17.30042 SOLV 1860 17.30042 5957 1768 TIP3 H1 11.02943 -1.28856 17.61269 SOLV 1860 17.61269 5958 1768 TIP3 H2 12.33004 -0.70458 18.07362 SOLV 1860 18.07362 5959 1769 TIP3 OH2 15.77996 3.45881 16.44084 SOLV 1861 16.44084 5960 1769 TIP3 H1 15.80921 3.99327 15.57208 SOLV 1861 15.57208 5961 1769 TIP3 H2 15.43277 4.12777 16.98222 SOLV 1861 16.98222 5962 1770 TIP3 OH2 19.32552 -1.77744 12.64937 SOLV 1862 12.64937 5963 1770 TIP3 H1 18.99463 -1.89933 11.77521 SOLV 1862 11.77521 5964 1770 TIP3 H2 19.40989 -0.82416 12.61442 SOLV 1862 12.61442 5965 1771 TIP3 OH2 21.66506 1.52996 11.86792 SOLV 1863 11.86792 5966 1771 TIP3 H1 22.12532 1.50522 11.07050 SOLV 1863 11.07050 5967 1771 TIP3 H2 20.76771 1.86097 11.58672 SOLV 1863 11.58672 5968 1772 TIP3 OH2 23.03376 -6.73914 16.17368 SOLV 1864 16.17368 5969 1772 TIP3 H1 23.66116 -6.56705 16.88122 SOLV 1864 16.88122 5970 1772 TIP3 H2 23.59028 -6.46145 15.41007 SOLV 1864 15.41007 5971 1773 TIP3 OH2 12.10373 8.62584 15.95212 SOLV 1865 15.95212 5972 1773 TIP3 H1 12.34433 9.48284 15.61950 SOLV 1865 15.61950 5973 1773 TIP3 H2 11.14177 8.47776 15.64765 SOLV 1865 15.64765 5974 1774 TIP3 OH2 27.46777 2.02213 11.31861 SOLV 1866 11.31861 5975 1774 TIP3 H1 28.38922 2.00017 11.72594 SOLV 1866 11.72594 5976 1774 TIP3 H2 27.67293 2.67059 10.62906 SOLV 1866 10.62906 5977 1775 TIP3 OH2 18.15828 -6.17243 17.66811 SOLV 1867 17.66811 5978 1775 TIP3 H1 18.64280 -6.70411 16.99083 SOLV 1867 16.99083 5979 1775 TIP3 H2 17.25603 -6.52391 17.61620 SOLV 1867 17.61620 5980 1776 TIP3 OH2 26.69996 3.28525 16.82881 SOLV 1868 16.82881 5981 1776 TIP3 H1 26.59777 3.13251 15.86029 SOLV 1868 15.86029 5982 1776 TIP3 H2 27.20864 2.47917 16.98463 SOLV 1868 16.98463 5983 1777 TIP3 OH2 15.64714 7.11481 16.87460 SOLV 1869 16.87460 5984 1777 TIP3 H1 14.90696 7.73890 16.93549 SOLV 1869 16.93549 5985 1777 TIP3 H2 16.05552 7.16163 17.74390 SOLV 1869 17.74390 5986 1778 TIP3 OH2 27.35962 6.18140 16.28581 SOLV 1870 16.28581 5987 1778 TIP3 H1 26.69007 6.71625 16.73936 SOLV 1870 16.73936 5988 1778 TIP3 H2 27.71010 6.80556 15.65262 SOLV 1870 15.65262 5989 1779 TIP3 OH2 22.68408 -6.43018 11.37287 SOLV 1871 11.37287 5990 1779 TIP3 H1 23.36686 -6.88834 10.82271 SOLV 1871 10.82271 5991 1779 TIP3 H2 22.42388 -7.15071 11.98916 SOLV 1871 11.98916 5992 1780 TIP3 OH2 13.74555 -8.13304 13.23327 SOLV 1872 13.23327 5993 1780 TIP3 H1 14.45213 -8.75726 13.47111 SOLV 1872 13.47111 5994 1780 TIP3 H2 14.03933 -7.88429 12.34187 SOLV 1872 12.34187 5995 1781 TIP3 OH2 21.57496 -2.74515 14.81715 SOLV 1873 14.81715 5996 1781 TIP3 H1 21.51912 -1.78690 14.80056 SOLV 1873 14.80056 5997 1781 TIP3 H2 22.12340 -2.85268 15.67760 SOLV 1873 15.67760 5998 1782 TIP3 OH2 21.03525 -8.31900 16.08830 SOLV 1874 16.08830 5999 1782 TIP3 H1 20.84903 -8.74192 16.99620 SOLV 1874 16.99620 6000 1782 TIP3 H2 21.76096 -7.70698 16.40785 SOLV 1874 16.40785 6001 1783 TIP3 OH2 15.08178 1.14944 15.07970 SOLV 1875 15.07970 6002 1783 TIP3 H1 15.84457 0.61786 14.74683 SOLV 1875 14.74683 6003 1783 TIP3 H2 15.55904 1.94550 15.53523 SOLV 1875 15.53523 6004 1784 TIP3 OH2 27.15016 -4.52303 10.57893 SOLV 1876 10.57893 6005 1784 TIP3 H1 27.15330 -3.59379 10.71422 SOLV 1876 10.71422 6006 1784 TIP3 H2 27.74556 -4.69441 9.83817 SOLV 1876 9.83817 6007 1785 TIP3 OH2 23.57664 2.16908 17.95278 SOLV 1877 17.95278 6008 1785 TIP3 H1 23.71298 2.55155 18.81796 SOLV 1877 18.81796 6009 1785 TIP3 H2 23.25536 1.26967 18.27430 SOLV 1877 18.27430 6010 1786 TIP3 OH2 16.25552 9.38750 13.59325 SOLV 1878 13.59325 6011 1786 TIP3 H1 16.82246 8.56819 13.90706 SOLV 1878 13.90706 6012 1786 TIP3 H2 16.89833 10.03784 13.75450 SOLV 1878 13.75450 6013 1787 TIP3 OH2 18.80615 -6.86432 12.84249 SOLV 1879 12.84249 6014 1787 TIP3 H1 19.70398 -6.78923 13.24622 SOLV 1879 13.24622 6015 1787 TIP3 H2 18.56397 -7.82725 12.81118 SOLV 1879 12.81118 6016 1788 TIP3 OH2 11.12291 -4.23411 17.57234 SOLV 1880 17.57234 6017 1788 TIP3 H1 11.05746 -5.05558 17.10780 SOLV 1880 17.10780 6018 1788 TIP3 H2 12.07537 -3.98848 17.45929 SOLV 1880 17.45929 6019 1789 TIP3 OH2 13.95218 -4.20338 17.01817 SOLV 1881 17.01817 6020 1789 TIP3 H1 14.50842 -4.72657 17.65533 SOLV 1881 17.65533 6021 1789 TIP3 H2 13.89423 -4.84087 16.26602 SOLV 1881 16.26602 6022 1790 TIP3 OH2 27.00924 4.95182 13.65104 SOLV 1882 13.65104 6023 1790 TIP3 H1 27.69857 4.31066 13.49836 SOLV 1882 13.49836 6024 1790 TIP3 H2 27.26306 5.30927 14.52417 SOLV 1882 14.52417 6025 1791 TIP3 OH2 15.76965 4.47743 13.85499 SOLV 1883 13.85499 6026 1791 TIP3 H1 15.78097 5.38056 14.18903 SOLV 1883 14.18903 6027 1791 TIP3 H2 16.66723 4.37535 13.59639 SOLV 1883 13.59639 6028 1792 TIP3 OH2 11.42678 -6.94206 12.52443 SOLV 1884 12.52443 6029 1792 TIP3 H1 10.94095 -7.76062 12.19453 SOLV 1884 12.19453 6030 1792 TIP3 H2 12.24925 -7.34894 12.83702 SOLV 1884 12.83702 6031 1793 TIP3 OH2 27.59139 -6.43175 14.53834 SOLV 1885 14.53834 6032 1793 TIP3 H1 27.62042 -6.79442 13.57814 SOLV 1885 13.57814 6033 1793 TIP3 H2 26.90138 -5.74293 14.51494 SOLV 1885 14.51494 6034 1794 TIP3 OH2 11.03485 4.18847 17.29467 SOLV 1886 17.29467 6035 1794 TIP3 H1 10.21349 4.37476 16.76927 SOLV 1886 16.76927 6036 1794 TIP3 H2 11.69501 4.59144 16.66430 SOLV 1886 16.66430 6037 1795 TIP3 OH2 16.87696 -1.03349 14.56892 SOLV 1887 14.56892 6038 1795 TIP3 H1 17.59841 -0.58146 15.06752 SOLV 1887 15.06752 6039 1795 TIP3 H2 17.33159 -1.69559 14.04372 SOLV 1887 14.04372 6040 1796 TIP3 OH2 14.41679 -7.34486 10.38082 SOLV 1888 10.38082 6041 1796 TIP3 H1 14.57211 -7.20310 9.44164 SOLV 1888 9.44164 6042 1796 TIP3 H2 13.69179 -7.99626 10.29329 SOLV 1888 10.29329 6043 1797 TIP3 OH2 16.53860 -9.26682 10.72137 SOLV 1889 10.72137 6044 1797 TIP3 H1 15.96667 -8.47480 10.71253 SOLV 1889 10.71253 6045 1797 TIP3 H2 16.61182 -9.53119 11.71315 SOLV 1889 11.71315 6046 1798 TIP3 OH2 23.57655 -3.32177 16.61500 SOLV 1890 16.61500 6047 1798 TIP3 H1 23.63477 -4.13924 16.11178 SOLV 1890 16.11178 6048 1798 TIP3 H2 24.35825 -2.79885 16.29925 SOLV 1890 16.29925 6049 1799 TIP3 OH2 19.84812 -15.14591 10.74676 SOLV 1894 10.74676 6050 1799 TIP3 H1 20.35169 -14.62924 11.42267 SOLV 1894 11.42267 6051 1799 TIP3 H2 20.32412 -14.91230 9.94021 SOLV 1894 9.94021 6052 1800 TIP3 OH2 16.31855 -17.01567 8.93937 SOLV 1895 8.93937 6053 1800 TIP3 H1 16.60284 -16.53071 9.72625 SOLV 1895 9.72625 6054 1800 TIP3 H2 15.89555 -17.91965 9.24624 SOLV 1895 9.24624 6055 1801 TIP3 OH2 18.36996 -11.06676 15.99094 SOLV 1896 15.99094 6056 1801 TIP3 H1 17.49999 -11.38899 16.29792 SOLV 1896 16.29792 6057 1801 TIP3 H2 19.00160 -11.35595 16.72198 SOLV 1896 16.72198 6058 1802 TIP3 OH2 17.26159 -15.83520 11.19967 SOLV 1897 11.19967 6059 1802 TIP3 H1 17.40117 -15.43310 12.09791 SOLV 1897 12.09791 6060 1802 TIP3 H2 18.24838 -15.61347 11.06180 SOLV 1897 11.06180 6061 1803 TIP3 OH2 10.44228 -17.09527 17.46866 SOLV 1898 17.46866 6062 1803 TIP3 H1 10.48582 -16.22401 17.58978 SOLV 1898 17.58978 6063 1803 TIP3 H2 11.35695 -17.33411 17.30927 SOLV 1898 17.30927 6064 1804 TIP3 OH2 11.23436 -16.19956 12.07788 SOLV 1899 12.07788 6065 1804 TIP3 H1 11.03600 -15.96793 12.99352 SOLV 1899 12.99352 6066 1804 TIP3 H2 11.84964 -15.42120 12.00039 SOLV 1899 12.00039 6067 1805 TIP3 OH2 27.91921 -10.77968 14.38631 SOLV 1900 14.38631 6068 1805 TIP3 H1 28.21670 -11.12602 13.51557 SOLV 1900 13.51557 6069 1805 TIP3 H2 27.18791 -10.22780 14.11448 SOLV 1900 14.11448 6070 1806 TIP3 OH2 11.17357 -11.39923 11.80890 SOLV 1901 11.80890 6071 1806 TIP3 H1 11.50513 -10.71645 11.26949 SOLV 1901 11.26949 6072 1806 TIP3 H2 11.99219 -11.92896 11.87018 SOLV 1901 11.87018 6073 1807 TIP3 OH2 26.33176 -14.76884 9.48976 SOLV 1902 9.48976 6074 1807 TIP3 H1 25.64248 -14.72919 8.82407 SOLV 1902 8.82407 6075 1807 TIP3 H2 25.98923 -14.17661 10.18185 SOLV 1902 10.18185 6076 1808 TIP3 OH2 18.19608 -15.42048 17.89451 SOLV 1903 17.89451 6077 1808 TIP3 H1 17.30520 -15.41454 17.51091 SOLV 1903 17.51091 6078 1808 TIP3 H2 17.96458 -14.99768 18.75086 SOLV 1903 18.75086 6079 1809 TIP3 OH2 14.11003 -11.37622 11.42666 SOLV 1904 11.42666 6080 1809 TIP3 H1 13.60941 -10.54730 11.50281 SOLV 1904 11.50281 6081 1809 TIP3 H2 14.82063 -11.17217 10.82581 SOLV 1904 10.82581 6082 1810 TIP3 OH2 24.86580 -17.27037 11.67790 SOLV 1905 11.67790 6083 1810 TIP3 H1 24.46231 -17.13627 10.81552 SOLV 1905 10.81552 6084 1810 TIP3 H2 25.74947 -16.84559 11.53515 SOLV 1905 11.53515 6085 1811 TIP3 OH2 17.95399 -11.63018 13.31718 SOLV 1906 13.31718 6086 1811 TIP3 H1 18.16459 -12.55318 13.13678 SOLV 1906 13.13678 6087 1811 TIP3 H2 18.44113 -11.42309 14.11069 SOLV 1906 14.11069 6088 1812 TIP3 OH2 19.97277 -15.19267 15.64091 SOLV 1907 15.64091 6089 1812 TIP3 H1 20.75851 -15.47402 16.09554 SOLV 1907 16.09554 6090 1812 TIP3 H2 19.22264 -15.46722 16.19979 SOLV 1907 16.19979 6091 1813 TIP3 OH2 27.69264 -11.63218 10.27964 SOLV 1908 10.27964 6092 1813 TIP3 H1 27.09074 -12.02412 10.90631 SOLV 1908 10.90631 6093 1813 TIP3 H2 28.47333 -11.44941 10.84167 SOLV 1908 10.84167 6094 1814 TIP3 OH2 25.77581 -10.57194 17.78079 SOLV 1909 17.78079 6095 1814 TIP3 H1 25.99053 -9.62928 17.45251 SOLV 1909 17.45251 6096 1814 TIP3 H2 25.08510 -10.22603 18.47922 SOLV 1909 18.47922 6097 1815 TIP3 OH2 23.41323 -15.22349 13.20469 SOLV 1910 13.20469 6098 1815 TIP3 H1 22.57101 -15.50956 12.94184 SOLV 1910 12.94184 6099 1815 TIP3 H2 23.94177 -15.73981 12.62247 SOLV 1910 12.62247 6100 1816 TIP3 OH2 10.39279 -15.33370 14.42296 SOLV 1911 14.42296 6101 1816 TIP3 H1 11.10003 -15.99335 14.80342 SOLV 1911 14.80342 6102 1816 TIP3 H2 9.66353 -15.96689 14.38730 SOLV 1911 14.38730 6103 1817 TIP3 OH2 14.11734 -17.52074 12.40379 SOLV 1912 12.40379 6104 1817 TIP3 H1 14.22313 -17.35646 13.32488 SOLV 1912 13.32488 6105 1817 TIP3 H2 14.15124 -16.63882 11.97661 SOLV 1912 11.97661 6106 1818 TIP3 OH2 18.42937 -14.67031 13.34389 SOLV 1913 13.34389 6107 1818 TIP3 H1 19.33557 -14.59578 12.90642 SOLV 1913 12.90642 6108 1818 TIP3 H2 18.74208 -14.77088 14.27167 SOLV 1913 14.27167 6109 1819 TIP3 OH2 12.28457 -17.30621 14.95746 SOLV 1914 14.95746 6110 1819 TIP3 H1 13.24801 -17.15930 15.15760 SOLV 1914 15.15760 6111 1819 TIP3 H2 12.24833 -18.13051 14.39218 SOLV 1914 14.39218 6112 1820 TIP3 OH2 19.29573 -9.67229 11.90698 SOLV 1915 11.90698 6113 1820 TIP3 H1 18.79497 -10.38040 12.33219 SOLV 1915 12.33219 6114 1820 TIP3 H2 20.16766 -10.15783 11.81179 SOLV 1915 11.81179 6115 1821 TIP3 OH2 24.34041 -17.01193 15.14814 SOLV 1916 15.14814 6116 1821 TIP3 H1 24.36952 -16.88726 16.13122 SOLV 1916 16.13122 6117 1821 TIP3 H2 24.07140 -16.09539 14.82183 SOLV 1916 14.82183 6118 1822 TIP3 OH2 23.62698 -14.28516 16.47132 SOLV 1917 16.47132 6119 1822 TIP3 H1 23.35974 -15.21816 16.78281 SOLV 1917 16.78281 6120 1822 TIP3 H2 24.47673 -14.30929 16.85265 SOLV 1917 16.85265 6121 1823 TIP3 OH2 21.52760 -10.90859 12.37660 SOLV 1918 12.37660 6122 1823 TIP3 H1 21.98766 -11.37437 13.11200 SOLV 1918 13.11200 6123 1823 TIP3 H2 22.23594 -10.90657 11.73375 SOLV 1918 11.73375 6124 1824 TIP3 OH2 22.85589 -12.16581 14.41427 SOLV 1919 14.41427 6125 1824 TIP3 H1 22.89589 -12.90873 14.96543 SOLV 1919 14.96543 6126 1824 TIP3 H2 23.21268 -11.52731 15.04747 SOLV 1919 15.04747 6127 1825 TIP3 OH2 23.66510 -11.42705 10.74387 SOLV 1920 10.74387 6128 1825 TIP3 H1 24.29271 -10.84874 10.23930 SOLV 1920 10.23930 6129 1825 TIP3 H2 24.33137 -12.02380 11.21147 SOLV 1920 11.21147 6130 1826 TIP3 OH2 22.95864 -11.51223 17.23163 SOLV 1921 17.23163 6131 1826 TIP3 H1 23.67581 -12.15157 17.17039 SOLV 1921 17.17039 6132 1826 TIP3 H2 23.38573 -10.80507 17.70155 SOLV 1921 17.70155 6133 1827 TIP3 OH2 13.29697 -13.37295 15.98437 SOLV 1922 15.98437 6134 1827 TIP3 H1 13.19836 -13.13822 15.02786 SOLV 1922 15.02786 6135 1827 TIP3 H2 13.91164 -12.66758 16.19665 SOLV 1922 16.19665 6136 1828 TIP3 OH2 25.00633 -13.39064 11.77846 SOLV 1923 11.77846 6137 1828 TIP3 H1 24.17993 -13.57497 12.25690 SOLV 1923 12.25690 6138 1828 TIP3 H2 25.71232 -13.57615 12.44415 SOLV 1923 12.44415 6139 1829 TIP3 OH2 21.10680 -13.76230 12.72370 SOLV 1924 12.72370 6140 1829 TIP3 H1 21.62865 -13.61943 13.56824 SOLV 1924 13.56824 6141 1829 TIP3 H2 20.95863 -12.83942 12.43503 SOLV 1924 12.43503 6142 1830 TIP3 OH2 13.11788 -14.00143 12.20138 SOLV 1925 12.20138 6143 1830 TIP3 H1 13.34849 -13.16334 11.87738 SOLV 1925 11.87738 6144 1830 TIP3 H2 14.01183 -14.20343 12.56116 SOLV 1925 12.56116 6145 1831 TIP3 OH2 27.20651 -17.35984 14.69107 SOLV 1926 14.69107 6146 1831 TIP3 H1 27.21527 -17.80390 15.59859 SOLV 1926 15.59859 6147 1831 TIP3 H2 28.00422 -17.77982 14.42173 SOLV 1926 14.42173 6148 1832 TIP3 OH2 15.77996 -15.19466 16.44084 SOLV 1927 16.44084 6149 1832 TIP3 H1 15.80921 -14.66020 15.57208 SOLV 1927 15.57208 6150 1832 TIP3 H2 15.43277 -14.52570 16.98222 SOLV 1927 16.98222 6151 1833 TIP3 OH2 21.66506 -17.12351 11.86792 SOLV 1928 11.86792 6152 1833 TIP3 H1 22.12532 -17.14825 11.07050 SOLV 1928 11.07050 6153 1833 TIP3 H2 20.76771 -16.79250 11.58672 SOLV 1928 11.58672 6154 1834 TIP3 OH2 12.10373 -10.02763 15.95212 SOLV 1929 15.95212 6155 1834 TIP3 H1 12.34433 -9.17063 15.61950 SOLV 1929 15.61950 6156 1834 TIP3 H2 11.14177 -10.17571 15.64765 SOLV 1929 15.64765 6157 1835 TIP3 OH2 27.46777 -16.63134 11.31861 SOLV 1930 11.31861 6158 1835 TIP3 H1 28.38922 -16.65330 11.72594 SOLV 1930 11.72594 6159 1835 TIP3 H2 27.67293 -15.98288 10.62906 SOLV 1930 10.62906 6160 1836 TIP3 OH2 26.69996 -15.36822 16.82881 SOLV 1931 16.82881 6161 1836 TIP3 H1 26.59777 -15.52096 15.86029 SOLV 1931 15.86029 6162 1836 TIP3 H2 27.20864 -16.17430 16.98463 SOLV 1931 16.98463 6163 1837 TIP3 OH2 15.64714 -11.53866 16.87460 SOLV 1932 16.87460 6164 1837 TIP3 H1 14.90696 -10.91457 16.93549 SOLV 1932 16.93549 6165 1837 TIP3 H2 16.05552 -11.49184 17.74390 SOLV 1932 17.74390 6166 1838 TIP3 OH2 27.35962 -12.47207 16.28581 SOLV 1933 16.28581 6167 1838 TIP3 H1 26.69007 -11.93722 16.73936 SOLV 1933 16.73936 6168 1838 TIP3 H2 27.71010 -11.84791 15.65262 SOLV 1933 15.65262 6169 1839 TIP3 OH2 15.08178 -17.50403 15.07970 SOLV 1934 15.07970 6170 1839 TIP3 H1 15.84457 -18.03561 14.74683 SOLV 1934 14.74683 6171 1839 TIP3 H2 15.55904 -16.70797 15.53523 SOLV 1934 15.53523 6172 1840 TIP3 OH2 23.57664 -16.48439 17.95278 SOLV 1935 17.95278 6173 1840 TIP3 H1 23.71298 -16.10192 18.81796 SOLV 1935 18.81796 6174 1840 TIP3 H2 23.25536 -17.38380 18.27430 SOLV 1935 18.27430 6175 1841 TIP3 OH2 16.25552 -9.26597 13.59325 SOLV 1936 13.59325 6176 1841 TIP3 H1 16.82246 -10.08528 13.90706 SOLV 1936 13.90706 6177 1841 TIP3 H2 16.89833 -8.61563 13.75450 SOLV 1936 13.75450 6178 1842 TIP3 OH2 27.00924 -13.70165 13.65104 SOLV 1937 13.65104 6179 1842 TIP3 H1 27.69857 -14.34281 13.49836 SOLV 1937 13.49836 6180 1842 TIP3 H2 27.26306 -13.34420 14.52417 SOLV 1937 14.52417 6181 1843 TIP3 OH2 15.76965 -14.17604 13.85499 SOLV 1938 13.85499 6182 1843 TIP3 H1 15.78097 -13.27291 14.18903 SOLV 1938 14.18903 6183 1843 TIP3 H2 16.66723 -14.27812 13.59639 SOLV 1938 13.59639 6184 1844 TIP3 OH2 11.03485 -14.46500 17.29467 SOLV 1939 17.29467 6185 1844 TIP3 H1 10.21349 -14.27871 16.76927 SOLV 1939 16.76927 6186 1844 TIP3 H2 11.69501 -14.06203 16.66430 SOLV 1939 16.66430 6187 1845 TIP3 OH2 28.59485 10.86067 -8.92521 SOLV 1940 -8.92521 6188 1845 TIP3 H1 28.62716 11.84029 -9.19177 SOLV 1940 -9.19177 6189 1845 TIP3 H2 28.29044 10.46696 -9.73966 SOLV 1940 -9.73966 6190 1846 TIP3 OH2 28.42458 16.43234 7.97777 SOLV 1941 7.97777 6191 1846 TIP3 H1 28.97696 15.63537 8.09289 SOLV 1941 8.09289 6192 1846 TIP3 H2 28.94619 17.00913 7.45562 SOLV 1941 7.45562 6193 1847 TIP3 OH2 29.57652 16.26168 -8.21229 SOLV 1942 -8.21229 6194 1847 TIP3 H1 28.70746 16.63775 -8.37507 SOLV 1942 -8.37507 6195 1847 TIP3 H2 30.21173 17.00948 -7.99940 SOLV 1942 -7.99940 6196 1848 TIP3 OH2 28.02340 14.78089 1.91213 SOLV 1943 1.91213 6197 1848 TIP3 H1 28.11099 15.21614 2.76007 SOLV 1943 2.76007 6198 1848 TIP3 H2 28.89278 14.28875 1.88151 SOLV 1943 1.88151 6199 1849 TIP3 OH2 29.86004 13.00077 1.69507 SOLV 1944 1.69507 6200 1849 TIP3 H1 29.87280 13.08062 0.72784 SOLV 1944 0.72784 6201 1849 TIP3 H2 30.72523 12.62306 1.91754 SOLV 1944 1.91754 6202 1850 TIP3 OH2 29.07102 13.43461 8.27698 SOLV 1945 8.27698 6203 1850 TIP3 H1 29.99954 13.62028 8.13469 SOLV 1945 8.13469 6204 1850 TIP3 H2 28.69841 13.33669 7.38819 SOLV 1945 7.38819 6205 1851 TIP3 OH2 28.98231 17.69735 -3.63325 SOLV 1946 -3.63325 6206 1851 TIP3 H1 29.30276 16.84018 -4.07023 SOLV 1946 -4.07023 6207 1851 TIP3 H2 29.58310 17.67708 -2.87059 SOLV 1946 -2.87059 6208 1852 TIP3 OH2 29.01649 10.60266 -0.24201 SOLV 1947 -0.24201 6209 1852 TIP3 H1 29.37369 10.55423 0.61937 SOLV 1947 0.61937 6210 1852 TIP3 H2 28.08888 10.62530 0.04072 SOLV 1947 0.04072 6211 1853 TIP3 OH2 28.17607 16.32977 4.86424 SOLV 1948 4.86424 6212 1853 TIP3 H1 29.00286 16.75467 5.07590 SOLV 1948 5.07590 6213 1853 TIP3 H2 28.22032 15.66468 5.53421 SOLV 1948 5.53421 6214 1854 TIP3 OH2 29.77638 14.41936 -1.08113 SOLV 1949 -1.08113 6215 1854 TIP3 H1 29.71093 13.59789 -1.54567 SOLV 1949 -1.54567 6216 1854 TIP3 H2 30.72884 14.66499 -1.19418 SOLV 1949 -1.19418 6217 1855 TIP3 OH2 28.24012 16.74052 0.10949 SOLV 1950 0.10949 6218 1855 TIP3 H1 28.34583 15.88908 0.50061 SOLV 1950 0.50061 6219 1855 TIP3 H2 28.41993 17.32089 0.96675 SOLV 1950 0.96675 6220 1856 TIP3 OH2 28.59485 -7.79280 -8.92521 SOLV 1951 -8.92521 6221 1856 TIP3 H1 28.62716 -6.81318 -9.19177 SOLV 1951 -9.19177 6222 1856 TIP3 H2 28.29044 -8.18651 -9.73966 SOLV 1951 -9.73966 6223 1857 TIP3 OH2 28.42458 -2.22113 7.97777 SOLV 1952 7.97777 6224 1857 TIP3 H1 28.97696 -3.01810 8.09289 SOLV 1952 8.09289 6225 1857 TIP3 H2 28.94619 -1.64434 7.45562 SOLV 1952 7.45562 6226 1858 TIP3 OH2 29.57652 -2.39179 -8.21229 SOLV 1953 -8.21229 6227 1858 TIP3 H1 28.70746 -2.01572 -8.37507 SOLV 1953 -8.37507 6228 1858 TIP3 H2 30.21173 -1.64399 -7.99940 SOLV 1953 -7.99940 6229 1859 TIP3 OH2 29.09575 1.55820 -1.18481 SOLV 1954 -1.18481 6230 1859 TIP3 H1 29.13929 2.42946 -1.06369 SOLV 1954 -1.06369 6231 1859 TIP3 H2 30.01042 1.31936 -1.34420 SOLV 1954 -1.34420 6232 1860 TIP3 OH2 29.88783 2.45391 -6.57559 SOLV 1955 -6.57559 6233 1860 TIP3 H1 29.68947 2.68554 -5.65995 SOLV 1955 -5.65995 6234 1860 TIP3 H2 30.50311 3.23227 -6.65308 SOLV 1955 -6.65308 6235 1861 TIP3 OH2 28.02340 -3.87258 1.91213 SOLV 1956 1.91213 6236 1861 TIP3 H1 28.11099 -3.43733 2.76007 SOLV 1956 2.76007 6237 1861 TIP3 H2 28.89278 -4.36472 1.88151 SOLV 1956 1.88151 6238 1862 TIP3 OH2 29.82704 7.25424 -6.84457 SOLV 1957 -6.84457 6239 1862 TIP3 H1 30.15860 7.93702 -7.38398 SOLV 1957 -7.38398 6240 1862 TIP3 H2 30.64566 6.72451 -6.78329 SOLV 1957 -6.78329 6241 1863 TIP3 OH2 29.86004 -5.65270 1.69507 SOLV 1958 1.69507 6242 1863 TIP3 H1 29.87280 -5.57285 0.72784 SOLV 1958 0.72784 6243 1863 TIP3 H2 30.72523 -6.03041 1.91754 SOLV 1958 1.91754 6244 1864 TIP3 OH2 29.07102 -5.21886 8.27698 SOLV 1959 8.27698 6245 1864 TIP3 H1 29.99954 -5.03319 8.13469 SOLV 1959 8.13469 6246 1864 TIP3 H2 28.69841 -5.31678 7.38819 SOLV 1959 7.38819 6247 1865 TIP3 OH2 28.24911 2.32200 3.34809 SOLV 1960 3.34809 6248 1865 TIP3 H1 27.87324 2.22035 4.22832 SOLV 1960 4.22832 6249 1865 TIP3 H2 28.59418 3.24351 3.30419 SOLV 1960 3.30419 6250 1866 TIP3 OH2 29.04626 3.31977 -4.23051 SOLV 1961 -4.23051 6251 1866 TIP3 H1 29.75350 2.66012 -3.85005 SOLV 1961 -3.85005 6252 1866 TIP3 H2 28.31700 2.68658 -4.26617 SOLV 1961 -4.26617 6253 1867 TIP3 OH2 28.98231 -0.95612 -3.63325 SOLV 1962 -3.63325 6254 1867 TIP3 H1 29.30276 -1.81329 -4.07023 SOLV 1962 -4.07023 6255 1867 TIP3 H2 29.58310 -0.97639 -2.87059 SOLV 1962 -2.87059 6256 1868 TIP3 OH2 29.01649 -8.05081 -0.24201 SOLV 1963 -0.24201 6257 1868 TIP3 H1 29.37369 -8.09924 0.61937 SOLV 1963 0.61937 6258 1868 TIP3 H2 28.08888 -8.02817 0.04072 SOLV 1963 0.04072 6259 1869 TIP3 OH2 29.06701 7.11385 5.92640 SOLV 1964 5.92640 6260 1869 TIP3 H1 29.35431 6.64489 6.69602 SOLV 1964 6.69602 6261 1869 TIP3 H2 29.37911 6.49299 5.28377 SOLV 1964 5.28377 6262 1870 TIP3 OH2 29.49190 5.46113 3.81299 SOLV 1965 3.81299 6263 1870 TIP3 H1 30.20836 4.77379 3.74379 SOLV 1965 3.74379 6264 1870 TIP3 H2 29.63871 5.96492 2.92412 SOLV 1965 2.92412 6265 1871 TIP3 OH2 28.23912 8.97932 4.27976 SOLV 1966 4.27976 6266 1871 TIP3 H1 28.70853 8.29226 4.78178 SOLV 1966 4.78178 6267 1871 TIP3 H2 28.91312 9.22834 3.60723 SOLV 1966 3.60723 6268 1872 TIP3 OH2 28.17607 -2.32370 4.86424 SOLV 1967 4.86424 6269 1872 TIP3 H1 29.00286 -1.89880 5.07590 SOLV 1967 5.07590 6270 1872 TIP3 H2 28.22032 -2.98879 5.53421 SOLV 1967 5.53421 6271 1873 TIP3 OH2 28.72806 1.30471 8.26845 SOLV 1968 8.26845 6272 1873 TIP3 H1 29.37339 0.82883 7.69475 SOLV 1968 7.69475 6273 1873 TIP3 H2 29.27973 2.04898 8.53963 SOLV 1968 8.53963 6274 1874 TIP3 OH2 29.77638 -4.23411 -1.08113 SOLV 1969 -1.08113 6275 1874 TIP3 H1 29.71093 -5.05558 -1.54567 SOLV 1969 -1.54567 6276 1874 TIP3 H2 30.72884 -3.98848 -1.19418 SOLV 1969 -1.19418 6277 1875 TIP3 OH2 28.58733 -0.03108 1.83192 SOLV 1970 1.83192 6278 1875 TIP3 H1 29.07972 -0.17760 2.70107 SOLV 1970 2.70107 6279 1875 TIP3 H2 28.14723 0.80962 1.96718 SOLV 1970 1.96718 6280 1876 TIP3 OH2 28.24012 -1.91295 0.10949 SOLV 1971 0.10949 6281 1876 TIP3 H1 28.34583 -2.76439 0.50061 SOLV 1971 0.50061 6282 1876 TIP3 H2 28.41993 -1.33258 0.96675 SOLV 1971 0.96675 6283 1877 TIP3 OH2 29.68832 4.18847 -1.35880 SOLV 1972 -1.35880 6284 1877 TIP3 H1 28.86696 4.37476 -1.88420 SOLV 1972 -1.88420 6285 1877 TIP3 H2 30.34848 4.59144 -1.98917 SOLV 1972 -1.98917 6286 1878 TIP3 OH2 29.09575 -17.09527 -1.18481 SOLV 1973 -1.18481 6287 1878 TIP3 H1 29.13929 -16.22401 -1.06369 SOLV 1973 -1.06369 6288 1878 TIP3 H2 30.01042 -17.33411 -1.34420 SOLV 1973 -1.34420 6289 1879 TIP3 OH2 29.88783 -16.19956 -6.57559 SOLV 1974 -6.57559 6290 1879 TIP3 H1 29.68947 -15.96793 -5.65995 SOLV 1974 -5.65995 6291 1879 TIP3 H2 30.50311 -15.42120 -6.65308 SOLV 1974 -6.65308 6292 1880 TIP3 OH2 29.82704 -11.39923 -6.84457 SOLV 1975 -6.84457 6293 1880 TIP3 H1 30.15860 -10.71645 -7.38398 SOLV 1975 -7.38398 6294 1880 TIP3 H2 30.64566 -11.92896 -6.78329 SOLV 1975 -6.78329 6295 1881 TIP3 OH2 28.24911 -16.33147 3.34809 SOLV 1976 3.34809 6296 1881 TIP3 H1 27.87324 -16.43312 4.22832 SOLV 1976 4.22832 6297 1881 TIP3 H2 28.59418 -15.40996 3.30419 SOLV 1976 3.30419 6298 1882 TIP3 OH2 29.04626 -15.33370 -4.23051 SOLV 1977 -4.23051 6299 1882 TIP3 H1 29.75350 -15.99335 -3.85005 SOLV 1977 -3.85005 6300 1882 TIP3 H2 28.31700 -15.96689 -4.26617 SOLV 1977 -4.26617 6301 1883 TIP3 OH2 29.06701 -11.53962 5.92640 SOLV 1978 5.92640 6302 1883 TIP3 H1 29.35431 -12.00858 6.69602 SOLV 1978 6.69602 6303 1883 TIP3 H2 29.37911 -12.16048 5.28377 SOLV 1978 5.28377 6304 1884 TIP3 OH2 29.49190 -13.19234 3.81299 SOLV 1979 3.81299 6305 1884 TIP3 H1 30.20836 -13.87968 3.74379 SOLV 1979 3.74379 6306 1884 TIP3 H2 29.63871 -12.68855 2.92412 SOLV 1979 2.92412 6307 1885 TIP3 OH2 28.23912 -9.67415 4.27976 SOLV 1980 4.27976 6308 1885 TIP3 H1 28.70853 -10.36121 4.78178 SOLV 1980 4.78178 6309 1885 TIP3 H2 28.91312 -9.42513 3.60723 SOLV 1980 3.60723 6310 1886 TIP3 OH2 28.72806 -17.34876 8.26845 SOLV 1981 8.26845 6311 1886 TIP3 H1 29.37339 -17.82464 7.69475 SOLV 1981 7.69475 6312 1886 TIP3 H2 29.27973 -16.60449 8.53963 SOLV 1981 8.53963 6313 1887 TIP3 OH2 29.68832 -14.46500 -1.35880 SOLV 1982 -1.35880 6314 1887 TIP3 H1 28.86696 -14.27871 -1.88420 SOLV 1982 -1.88420 6315 1887 TIP3 H2 30.34848 -14.06203 -1.98917 SOLV 1982 -1.98917 6316 1888 TIP3 OH2 21.25976 12.73480 -4.57522 SOLV 1983 -4.57522 6317 1888 TIP3 H1 20.78647 12.58336 -3.71645 SOLV 1983 -3.71645 6318 1888 TIP3 H2 22.07482 12.24465 -4.33913 SOLV 1983 -4.33913 6319 1889 TIP3 OH2 15.69301 10.15999 3.41353 SOLV 1984 3.41353 6320 1889 TIP3 H1 16.03000 9.55735 2.74384 SOLV 1984 2.74384 6321 1889 TIP3 H2 16.49898 10.39428 3.89745 SOLV 1984 3.89745 6322 1890 TIP3 OH2 23.17551 16.10148 9.34789 SOLV 1985 9.34789 6323 1890 TIP3 H1 24.13676 16.23537 9.58105 SOLV 1985 9.58105 6324 1890 TIP3 H2 23.14707 16.84688 8.71726 SOLV 1985 8.71726 6325 1891 TIP3 OH2 27.50899 12.00540 3.35569 SOLV 1986 3.35569 6326 1891 TIP3 H1 28.14570 11.28425 3.26230 SOLV 1986 3.26230 6327 1891 TIP3 H2 28.03353 12.72024 2.87538 SOLV 1986 2.87538 6328 1892 TIP3 OH2 18.56662 14.35226 -3.88393 SOLV 1987 -3.88393 6329 1892 TIP3 H1 17.64574 14.15162 -4.15570 SOLV 1987 -4.15570 6330 1892 TIP3 H2 18.38343 14.96641 -3.14000 SOLV 1987 -3.14000 6331 1893 TIP3 OH2 9.94138 10.86067 -8.92521 SOLV 1988 -8.92521 6332 1893 TIP3 H1 9.97369 11.84029 -9.19177 SOLV 1988 -9.19177 6333 1893 TIP3 H2 9.63697 10.46696 -9.73966 SOLV 1988 -9.73966 6334 1894 TIP3 OH2 25.56001 10.14904 3.90488 SOLV 1989 3.90488 6335 1894 TIP3 H1 25.95314 11.04983 4.05349 SOLV 1989 4.05349 6336 1894 TIP3 H2 26.39928 9.51784 4.00740 SOLV 1989 4.00740 6337 1895 TIP3 OH2 21.93503 15.06371 -7.11992 SOLV 1990 -7.11992 6338 1895 TIP3 H1 21.98452 15.68373 -7.86724 SOLV 1990 -7.86724 6339 1895 TIP3 H2 22.33271 14.21383 -7.47625 SOLV 1990 -7.47625 6340 1896 TIP3 OH2 18.11693 13.13548 8.57174 SOLV 1991 8.57174 6341 1896 TIP3 H1 18.70597 12.76436 9.22300 SOLV 1991 9.22300 6342 1896 TIP3 H2 18.60118 13.94063 8.30477 SOLV 1991 8.30477 6343 1897 TIP3 OH2 12.40555 13.96638 -7.21332 SOLV 1992 -7.21332 6344 1897 TIP3 H1 11.88547 13.14647 -6.91651 SOLV 1992 -6.91651 6345 1897 TIP3 H2 11.75529 14.41284 -7.82872 SOLV 1992 -7.82872 6346 1898 TIP3 OH2 26.41720 10.39924 0.95036 SOLV 1993 0.95036 6347 1898 TIP3 H1 25.73941 11.12585 0.87570 SOLV 1993 0.87570 6348 1898 TIP3 H2 26.09536 9.80557 1.62934 SOLV 1993 1.62934 6349 1899 TIP3 OH2 16.39574 11.25651 7.79666 SOLV 1994 7.79666 6350 1899 TIP3 H1 16.92262 10.43268 7.96888 SOLV 1994 7.96888 6351 1899 TIP3 H2 17.06214 11.92091 8.16664 SOLV 1994 8.16664 6352 1900 TIP3 OH2 9.77111 16.43234 7.97777 SOLV 1995 7.97777 6353 1900 TIP3 H1 10.32349 15.63537 8.09289 SOLV 1995 8.09289 6354 1900 TIP3 H2 10.29272 17.00913 7.45562 SOLV 1995 7.45562 6355 1901 TIP3 OH2 10.92305 16.26168 -8.21229 SOLV 1996 -8.21229 6356 1901 TIP3 H1 10.05399 16.63775 -8.37507 SOLV 1996 -8.37507 6357 1901 TIP3 H2 11.55826 17.00948 -7.99940 SOLV 1996 -7.99940 6358 1902 TIP3 OH2 9.36993 14.78089 1.91213 SOLV 1997 1.91213 6359 1902 TIP3 H1 9.45752 15.21614 2.76007 SOLV 1997 2.76007 6360 1902 TIP3 H2 10.23931 14.28875 1.88151 SOLV 1997 1.88151 6361 1903 TIP3 OH2 20.39382 16.08671 2.55185 SOLV 1998 2.55185 6362 1903 TIP3 H1 21.31467 15.96546 2.88467 SOLV 1998 2.88467 6363 1903 TIP3 H2 20.10868 15.21307 2.80866 SOLV 1998 2.80866 6364 1904 TIP3 OH2 23.07678 15.69251 3.13287 SOLV 1999 3.13287 6365 1904 TIP3 H1 23.99448 15.81978 3.56942 SOLV 1999 3.56942 6366 1904 TIP3 H2 23.18366 15.51182 2.14840 SOLV 1999 2.14840 6367 1905 TIP3 OH2 20.48784 17.59938 0.09242 SOLV 2000 0.09242 6368 1905 TIP3 H1 20.45988 17.29841 1.00022 SOLV 2000 1.00022 6369 1905 TIP3 H2 21.39118 17.89382 0.10901 SOLV 2000 0.10901 6370 1906 TIP3 OH2 16.17647 17.34295 6.62476 SOLV 2001 6.62476 6371 1906 TIP3 H1 15.92691 16.45475 6.73463 SOLV 2001 6.73463 6372 1906 TIP3 H2 15.60784 17.81502 7.27691 SOLV 2001 7.27691 6373 1907 TIP3 OH2 11.36686 11.44136 -2.67828 SOLV 2002 -2.67828 6374 1907 TIP3 H1 11.02092 11.15219 -1.75205 SOLV 2002 -1.75205 6375 1907 TIP3 H2 10.52894 11.67969 -3.11385 SOLV 2002 -3.11385 6376 1908 TIP3 OH2 18.42586 14.51997 0.65367 SOLV 2003 0.65367 6377 1908 TIP3 H1 18.25071 13.86447 -0.03086 SOLV 2003 -0.03086 6378 1908 TIP3 H2 19.32698 14.71472 0.61780 SOLV 2003 0.61780 6379 1909 TIP3 OH2 11.20657 13.00077 1.69507 SOLV 2004 1.69507 6380 1909 TIP3 H1 11.21933 13.08062 0.72784 SOLV 2004 0.72784 6381 1909 TIP3 H2 12.07176 12.62306 1.91754 SOLV 2004 1.91754 6382 1910 TIP3 OH2 25.51081 13.40736 1.85451 SOLV 2005 1.85451 6383 1910 TIP3 H1 26.14679 14.09826 1.85663 SOLV 2005 1.85663 6384 1910 TIP3 H2 25.60373 12.95991 2.67008 SOLV 2005 2.67008 6385 1911 TIP3 OH2 10.41755 13.43461 8.27698 SOLV 2007 8.27698 6386 1911 TIP3 H1 11.34607 13.62028 8.13469 SOLV 2007 8.13469 6387 1911 TIP3 H2 10.04494 13.33669 7.38819 SOLV 2007 7.38819 6388 1912 TIP3 OH2 13.86939 12.38659 -3.36842 SOLV 2008 -3.36842 6389 1912 TIP3 H1 13.91232 11.75660 -4.07814 SOLV 2008 -4.07814 6390 1912 TIP3 H2 12.90133 12.18537 -3.27368 SOLV 2008 -3.27368 6391 1913 TIP3 OH2 18.80010 17.10828 -9.05665 SOLV 2009 -9.05665 6392 1913 TIP3 H1 19.27025 16.27848 -9.36568 SOLV 2009 -9.36568 6393 1913 TIP3 H2 17.95172 16.75225 -9.04090 SOLV 2009 -9.04090 6394 1914 TIP3 OH2 22.64423 11.22576 7.31190 SOLV 2010 7.31190 6395 1914 TIP3 H1 21.92407 10.59657 7.64958 SOLV 2010 7.64958 6396 1914 TIP3 H2 22.60016 11.02850 6.38537 SOLV 2010 6.38537 6397 1915 TIP3 OH2 17.33802 14.34266 4.68983 SOLV 2011 4.68983 6398 1915 TIP3 H1 16.47258 14.25338 4.17236 SOLV 2011 4.17236 6399 1915 TIP3 H2 17.69214 13.40051 4.59347 SOLV 2011 4.59347 6400 1916 TIP3 OH2 18.51279 14.28043 -6.79403 SOLV 2012 -6.79403 6401 1916 TIP3 H1 18.15623 13.38829 -6.57339 SOLV 2012 -6.57339 6402 1916 TIP3 H2 17.88628 14.50558 -7.49560 SOLV 2012 -7.49560 6403 1917 TIP3 OH2 22.39746 9.97042 -4.97909 SOLV 2013 -4.97909 6404 1917 TIP3 H1 21.83979 9.36883 -5.49601 SOLV 2013 -5.49601 6405 1917 TIP3 H2 21.91829 9.88658 -4.12530 SOLV 2013 -4.12530 6406 1918 TIP3 OH2 26.34443 10.50348 -2.38996 SOLV 2014 -2.38996 6407 1918 TIP3 H1 27.05799 11.01933 -2.66199 SOLV 2014 -2.66199 6408 1918 TIP3 H2 26.07099 10.10019 -3.23953 SOLV 2014 -3.23953 6409 1919 TIP3 OH2 25.81693 9.46857 -5.17726 SOLV 2015 -5.17726 6410 1919 TIP3 H1 25.79936 10.22095 -5.85762 SOLV 2015 -5.85762 6411 1919 TIP3 H2 24.93080 9.65152 -4.87719 SOLV 2015 -4.87719 6412 1920 TIP3 OH2 19.17612 17.93807 -2.35296 SOLV 2016 -2.35296 6413 1920 TIP3 H1 19.81766 18.38756 -2.96884 SOLV 2016 -2.96884 6414 1920 TIP3 H2 19.63550 17.98362 -1.48200 SOLV 2016 -1.48200 6415 1921 TIP3 OH2 24.06488 16.75361 6.01193 SOLV 2017 6.01193 6416 1921 TIP3 H1 24.30831 17.56281 6.50377 SOLV 2017 6.50377 6417 1921 TIP3 H2 23.12413 16.83914 6.05908 SOLV 2017 6.05908 6418 1922 TIP3 OH2 15.35038 11.56428 -0.91240 SOLV 2018 -0.91240 6419 1922 TIP3 H1 14.78227 10.76636 -0.86507 SOLV 2018 -0.86507 6420 1922 TIP3 H2 15.28552 11.76050 -1.86117 SOLV 2018 -1.86117 6421 1923 TIP3 OH2 13.57816 11.64867 1.99151 SOLV 2019 1.99151 6422 1923 TIP3 H1 14.36768 11.14091 2.39199 SOLV 2019 2.39199 6423 1923 TIP3 H2 14.10491 12.10940 1.36547 SOLV 2019 1.36547 6424 1924 TIP3 OH2 12.98656 10.36668 7.87215 SOLV 2020 7.87215 6425 1924 TIP3 H1 12.94995 10.97408 7.14547 SOLV 2020 7.14547 6426 1924 TIP3 H2 13.02295 9.55675 7.38089 SOLV 2020 7.38089 6427 1925 TIP3 OH2 25.80218 16.80766 3.71185 SOLV 2021 3.71185 6428 1925 TIP3 H1 25.37821 17.32173 4.41528 SOLV 2021 4.41528 6429 1925 TIP3 H2 26.73239 16.84313 4.08596 SOLV 2021 4.08596 6430 1926 TIP3 OH2 25.21850 13.85468 7.95186 SOLV 2022 7.95186 6431 1926 TIP3 H1 25.79337 13.37130 8.51006 SOLV 2022 8.51006 6432 1926 TIP3 H2 25.34835 14.77636 8.30046 SOLV 2022 8.30046 6433 1927 TIP3 OH2 13.69550 17.80279 8.66518 SOLV 2023 8.66518 6434 1927 TIP3 H1 13.02882 18.13399 9.30855 SOLV 2023 9.30855 6435 1927 TIP3 H2 13.63623 16.88612 8.76676 SOLV 2023 8.76676 6436 1928 TIP3 OH2 27.23699 15.23119 -1.83882 SOLV 2024 -1.83882 6437 1928 TIP3 H1 27.26984 15.84774 -1.09225 SOLV 2024 -1.09225 6438 1928 TIP3 H2 28.10687 14.92468 -1.90677 SOLV 2024 -1.90677 6439 1929 TIP3 OH2 20.11057 12.31914 -8.45226 SOLV 2025 -8.45226 6440 1929 TIP3 H1 19.76651 12.66201 -7.57083 SOLV 2025 -7.57083 6441 1929 TIP3 H2 21.07300 12.36479 -8.14402 SOLV 2025 -8.14402 6442 1930 TIP3 OH2 23.64107 9.25908 0.18750 SOLV 2026 0.18750 6443 1930 TIP3 H1 23.46238 10.25533 0.17378 SOLV 2026 0.17378 6444 1930 TIP3 H2 23.13409 9.11101 0.95805 SOLV 2026 0.95805 6445 1931 TIP3 OH2 20.03366 15.17223 8.35065 SOLV 2027 8.35065 6446 1931 TIP3 H1 20.81669 14.58155 8.44120 SOLV 2027 8.44120 6447 1931 TIP3 H2 20.19569 15.37352 7.41017 SOLV 2027 7.41017 6448 1932 TIP3 OH2 27.90587 13.46030 5.79789 SOLV 2028 5.79789 6449 1932 TIP3 H1 28.15931 12.78092 5.20020 SOLV 2028 5.20020 6450 1932 TIP3 H2 26.94171 13.65623 5.45375 SOLV 2028 5.45375 6451 1933 TIP3 OH2 23.97859 13.46290 -4.70814 SOLV 2029 -4.70814 6452 1933 TIP3 H1 23.38614 14.20145 -4.70603 SOLV 2029 -4.70603 6453 1933 TIP3 H2 23.86629 13.09605 -5.64573 SOLV 2029 -5.64573 6454 1934 TIP3 OH2 25.30723 17.03141 -2.96171 SOLV 2030 -2.96171 6455 1934 TIP3 H1 26.15054 16.55682 -3.10770 SOLV 2030 -3.10770 6456 1934 TIP3 H2 25.71528 17.66852 -2.37398 SOLV 2030 -2.37398 6457 1935 TIP3 OH2 18.34439 10.17249 -3.15131 SOLV 2031 -3.15131 6458 1935 TIP3 H1 18.11832 9.22301 -2.90255 SOLV 2031 -2.90255 6459 1935 TIP3 H2 19.27909 10.18879 -2.85402 SOLV 2031 -2.85402 6460 1936 TIP3 OH2 26.93233 17.57006 -5.78339 SOLV 2032 -5.78339 6461 1936 TIP3 H1 27.17146 17.67123 -6.66676 SOLV 2032 -6.66676 6462 1936 TIP3 H2 27.75640 17.28108 -5.35816 SOLV 2032 -5.35816 6463 1937 TIP3 OH2 17.53561 15.81177 -1.85043 SOLV 2033 -1.85043 6464 1937 TIP3 H1 17.96422 15.26809 -1.11573 SOLV 2033 -1.11573 6465 1937 TIP3 H2 18.05427 16.64823 -1.82169 SOLV 2033 -1.82169 6466 1938 TIP3 OH2 26.30069 12.03509 -6.55872 SOLV 2034 -6.55872 6467 1938 TIP3 H1 26.60663 11.55759 -7.40708 SOLV 2034 -7.40708 6468 1938 TIP3 H2 26.15511 12.84798 -7.02448 SOLV 2034 -7.02448 6469 1939 TIP3 OH2 13.08894 14.42479 7.82673 SOLV 2035 7.82673 6470 1939 TIP3 H1 14.03009 14.09305 7.77328 SOLV 2035 7.77328 6471 1939 TIP3 H2 13.13956 14.92857 6.99464 SOLV 2035 6.99464 6472 1940 TIP3 OH2 19.47261 9.88492 -9.42202 SOLV 2036 -9.42202 6473 1940 TIP3 H1 19.13446 9.39109 -8.62933 SOLV 2036 -8.62933 6474 1940 TIP3 H2 19.42538 10.75493 -9.06161 SOLV 2036 -9.06161 6475 1941 TIP3 OH2 24.23169 10.97515 9.54858 SOLV 2037 9.54858 6476 1941 TIP3 H1 23.87467 11.00635 8.63523 SOLV 2037 8.63523 6477 1941 TIP3 H2 24.71809 10.13483 9.55010 SOLV 2037 9.55010 6478 1942 TIP3 OH2 21.47860 15.29501 5.51938 SOLV 2038 5.51938 6479 1942 TIP3 H1 22.05421 14.92074 6.22292 SOLV 2038 6.22292 6480 1942 TIP3 H2 22.12129 15.50837 4.80840 SOLV 2038 4.80840 6481 1943 TIP3 OH2 11.41994 15.36615 -5.07511 SOLV 2039 -5.07511 6482 1943 TIP3 H1 12.04515 15.00463 -5.69241 SOLV 2039 -5.69241 6483 1943 TIP3 H2 10.78152 14.79069 -5.18589 SOLV 2039 -5.18589 6484 1944 TIP3 OH2 25.95405 16.41612 9.02354 SOLV 2040 9.02354 6485 1944 TIP3 H1 26.37351 16.94986 9.63968 SOLV 2040 9.63968 6486 1944 TIP3 H2 26.75765 16.32019 8.47147 SOLV 2040 8.47147 6487 1945 TIP3 OH2 13.32302 16.50591 -3.55422 SOLV 2041 -3.55422 6488 1945 TIP3 H1 12.89531 17.01330 -2.91816 SOLV 2041 -2.91816 6489 1945 TIP3 H2 12.71637 15.73784 -3.84638 SOLV 2041 -3.84638 6490 1946 TIP3 OH2 16.40911 16.01432 -8.41119 SOLV 2042 -8.41119 6491 1946 TIP3 H1 16.26707 16.88990 -7.99651 SOLV 2042 -7.99651 6492 1946 TIP3 H2 15.99345 15.40691 -7.76713 SOLV 2042 -7.76713 6493 1947 TIP3 OH2 24.85937 12.24780 -0.57975 SOLV 2043 -0.57975 6494 1947 TIP3 H1 25.46069 11.81642 -1.20238 SOLV 2043 -1.20238 6495 1947 TIP3 H2 25.33587 13.00976 -0.35564 SOLV 2043 -0.35564 6496 1948 TIP3 OH2 17.64382 16.73491 2.19125 SOLV 2044 2.19125 6497 1948 TIP3 H1 18.56966 16.79959 2.48236 SOLV 2044 2.48236 6498 1948 TIP3 H2 17.64151 16.05202 1.48445 SOLV 2044 1.48445 6499 1949 TIP3 OH2 22.35299 13.87079 7.73643 SOLV 2045 7.73643 6500 1949 TIP3 H1 22.42134 12.89773 7.66704 SOLV 2045 7.66704 6501 1949 TIP3 H2 23.33985 14.01943 7.81122 SOLV 2045 7.81122 6502 1950 TIP3 OH2 15.02729 13.69499 -6.86148 SOLV 2046 -6.86148 6503 1950 TIP3 H1 14.06744 13.87921 -7.06761 SOLV 2046 -7.06761 6504 1950 TIP3 H2 15.16173 12.83997 -7.36225 SOLV 2046 -7.36225 6505 1951 TIP3 OH2 10.32884 17.69735 -3.63325 SOLV 2047 -3.63325 6506 1951 TIP3 H1 10.64929 16.84018 -4.07023 SOLV 2047 -4.07023 6507 1951 TIP3 H2 10.92963 17.67708 -2.87059 SOLV 2047 -2.87059 6508 1952 TIP3 OH2 15.22012 17.80512 -1.28253 SOLV 2048 -1.28253 6509 1952 TIP3 H1 14.92172 18.57884 -1.73507 SOLV 2048 -1.73507 6510 1952 TIP3 H2 15.44657 18.12768 -0.39205 SOLV 2048 -0.39205 6511 1953 TIP3 OH2 15.61752 14.41456 -4.17028 SOLV 2049 -4.17028 6512 1953 TIP3 H1 14.86104 13.88442 -3.93495 SOLV 2049 -3.93495 6513 1953 TIP3 H2 15.59623 14.33491 -5.19134 SOLV 2049 -5.19134 6514 1954 TIP3 OH2 12.11839 9.43009 -8.16876 SOLV 2050 -8.16876 6515 1954 TIP3 H1 11.41438 10.07749 -8.47016 SOLV 2050 -8.47016 6516 1954 TIP3 H2 12.47785 9.30587 -9.06458 SOLV 2050 -9.06458 6517 1955 TIP3 OH2 18.98260 16.49900 5.21960 SOLV 2051 5.21960 6518 1955 TIP3 H1 18.32464 15.80556 5.45588 SOLV 2051 5.45588 6519 1955 TIP3 H2 19.67916 16.03242 4.93201 SOLV 2051 4.93201 6520 1956 TIP3 OH2 10.36302 10.60266 -0.24201 SOLV 2053 -0.24201 6521 1956 TIP3 H1 10.72022 10.55423 0.61937 SOLV 2053 0.61937 6522 1956 TIP3 H2 9.43541 10.62530 0.04072 SOLV 2053 0.04072 6523 1957 TIP3 OH2 11.90481 17.63441 -1.35305 SOLV 2054 -1.35305 6524 1957 TIP3 H1 11.02943 17.36491 -1.04078 SOLV 2054 -1.04078 6525 1957 TIP3 H2 12.33004 17.94889 -0.57985 SOLV 2054 -0.57985 6526 1958 TIP3 OH2 22.38108 11.81329 0.87746 SOLV 2055 0.87746 6527 1958 TIP3 H1 22.77840 12.29694 1.62148 SOLV 2055 1.62148 6528 1958 TIP3 H2 22.69890 12.30541 0.12611 SOLV 2055 0.12611 6529 1959 TIP3 OH2 19.32552 16.87603 -6.00410 SOLV 2056 -6.00410 6530 1959 TIP3 H1 18.99463 16.75414 -6.87826 SOLV 2056 -6.87826 6531 1959 TIP3 H2 19.40989 17.82931 -6.03905 SOLV 2056 -6.03905 6532 1960 TIP3 OH2 23.03376 11.91433 -2.47979 SOLV 2057 -2.47979 6533 1960 TIP3 H1 23.66116 12.08642 -1.77225 SOLV 2057 -1.77225 6534 1960 TIP3 H2 23.59028 12.19202 -3.24340 SOLV 2057 -3.24340 6535 1961 TIP3 OH2 20.22722 12.51575 5.67838 SOLV 2058 5.67838 6536 1961 TIP3 H1 20.91371 12.40119 4.97521 SOLV 2058 4.97521 6537 1961 TIP3 H2 20.53443 13.39632 5.87131 SOLV 2058 5.87131 6538 1962 TIP3 OH2 22.95859 9.83303 4.59754 SOLV 2059 4.59754 6539 1962 TIP3 H1 23.88958 9.90536 4.30762 SOLV 2059 4.30762 6540 1962 TIP3 H2 22.98764 9.19768 5.33684 SOLV 2059 5.33684 6541 1963 TIP3 OH2 9.52260 16.32977 4.86424 SOLV 2060 4.86424 6542 1963 TIP3 H1 10.34939 16.75467 5.07590 SOLV 2060 5.07590 6543 1963 TIP3 H2 9.56685 15.66468 5.53421 SOLV 2060 5.53421 6544 1964 TIP3 OH2 22.47357 12.46862 4.02389 SOLV 2061 4.02389 6545 1964 TIP3 H1 23.24564 12.88878 4.44871 SOLV 2061 4.44871 6546 1964 TIP3 H2 22.72864 11.49663 4.05166 SOLV 2061 4.05166 6547 1965 TIP3 OH2 18.15828 12.48104 -0.98536 SOLV 2062 -0.98536 6548 1965 TIP3 H1 18.64280 11.94936 -1.66264 SOLV 2062 -1.66264 6549 1965 TIP3 H2 17.25603 12.12956 -1.03727 SOLV 2062 -1.03727 6550 1966 TIP3 OH2 11.39435 10.05368 2.52399 SOLV 2063 2.52399 6551 1966 TIP3 H1 12.18352 10.58774 2.62742 SOLV 2063 2.62742 6552 1966 TIP3 H2 11.84606 9.18187 2.28887 SOLV 2063 2.28887 6553 1967 TIP3 OH2 22.68408 12.22329 -7.28060 SOLV 2064 -7.28060 6554 1967 TIP3 H1 23.36686 11.76513 -7.83076 SOLV 2064 -7.83076 6555 1967 TIP3 H2 22.42388 11.50276 -6.66431 SOLV 2064 -6.66431 6556 1968 TIP3 OH2 13.74555 10.52043 -5.42020 SOLV 2065 -5.42020 6557 1968 TIP3 H1 14.45213 9.89621 -5.18236 SOLV 2065 -5.18236 6558 1968 TIP3 H2 14.03933 10.76918 -6.31160 SOLV 2065 -6.31160 6559 1969 TIP3 OH2 21.57496 15.90832 -3.83632 SOLV 2066 -3.83632 6560 1969 TIP3 H1 21.51912 16.86657 -3.85291 SOLV 2066 -3.85291 6561 1969 TIP3 H2 22.12340 15.80079 -2.97587 SOLV 2066 -2.97587 6562 1970 TIP3 OH2 21.03525 10.33447 -2.56517 SOLV 2067 -2.56517 6563 1970 TIP3 H1 20.84903 9.91155 -1.65727 SOLV 2067 -1.65727 6564 1970 TIP3 H2 21.76096 10.94649 -2.24562 SOLV 2067 -2.24562 6565 1971 TIP3 OH2 27.15016 14.13044 -8.07454 SOLV 2068 -8.07454 6566 1971 TIP3 H1 27.15330 15.05968 -7.93925 SOLV 2068 -7.93925 6567 1971 TIP3 H2 27.74556 13.95906 -8.81530 SOLV 2068 -8.81530 6568 1972 TIP3 OH2 18.80615 11.78915 -5.81098 SOLV 2069 -5.81098 6569 1972 TIP3 H1 19.70398 11.86424 -5.40725 SOLV 2069 -5.40725 6570 1972 TIP3 H2 18.56397 10.82622 -5.84229 SOLV 2069 -5.84229 6571 1973 TIP3 OH2 11.12291 14.41936 -1.08113 SOLV 2070 -1.08113 6572 1973 TIP3 H1 11.05746 13.59789 -1.54567 SOLV 2070 -1.54567 6573 1973 TIP3 H2 12.07537 14.66499 -1.19418 SOLV 2070 -1.19418 6574 1974 TIP3 OH2 13.95218 14.45009 -1.63530 SOLV 2071 -1.63530 6575 1974 TIP3 H1 14.50842 13.92690 -0.99814 SOLV 2071 -0.99814 6576 1974 TIP3 H2 13.89423 13.81260 -2.38745 SOLV 2071 -2.38745 6577 1975 TIP3 OH2 11.42678 11.71141 -6.12904 SOLV 2072 -6.12904 6578 1975 TIP3 H1 10.94095 10.89285 -6.45894 SOLV 2072 -6.45894 6579 1975 TIP3 H2 12.24925 11.30453 -5.81645 SOLV 2072 -5.81645 6580 1976 TIP3 OH2 9.58665 16.74052 0.10949 SOLV 2073 0.10949 6581 1976 TIP3 H1 9.69236 15.88908 0.50061 SOLV 2073 0.50061 6582 1976 TIP3 H2 9.76646 17.32089 0.96675 SOLV 2073 0.96675 6583 1977 TIP3 OH2 24.53587 13.92143 5.29077 SOLV 2074 5.29077 6584 1977 TIP3 H1 24.63731 14.90993 5.32102 SOLV 2074 5.32102 6585 1977 TIP3 H2 24.79382 13.62598 6.16455 SOLV 2074 6.16455 6586 1978 TIP3 OH2 23.69085 15.13672 0.56836 SOLV 2075 0.56836 6587 1978 TIP3 H1 23.65764 15.32820 -0.37638 SOLV 2075 -0.37638 6588 1978 TIP3 H2 24.50562 14.62905 0.59099 SOLV 2075 0.59099 6589 1979 TIP3 OH2 27.59139 12.22172 -4.11513 SOLV 2076 -4.11513 6590 1979 TIP3 H1 27.62042 11.85905 -5.07533 SOLV 2076 -5.07533 6591 1979 TIP3 H2 26.90138 12.91054 -4.13853 SOLV 2076 -4.13853 6592 1980 TIP3 OH2 16.87696 17.61998 -4.08455 SOLV 2077 -4.08455 6593 1980 TIP3 H1 17.59841 18.07201 -3.58595 SOLV 2077 -3.58595 6594 1980 TIP3 H2 17.33159 16.95788 -4.60975 SOLV 2077 -4.60975 6595 1981 TIP3 OH2 14.41679 11.30861 -8.27265 SOLV 2078 -8.27265 6596 1981 TIP3 H1 14.57211 11.45037 -9.21183 SOLV 2078 -9.21183 6597 1981 TIP3 H2 13.69179 10.65721 -8.36018 SOLV 2078 -8.36018 6598 1982 TIP3 OH2 17.73605 11.30431 5.14648 SOLV 2079 5.14648 6599 1982 TIP3 H1 18.63322 11.40208 5.53006 SOLV 2079 5.53006 6600 1982 TIP3 H2 17.28426 11.47119 5.96770 SOLV 2079 5.96770 6601 1983 TIP3 OH2 15.95852 14.91240 7.82320 SOLV 2080 7.82320 6602 1983 TIP3 H1 15.95790 15.17589 8.79029 SOLV 2080 8.79029 6603 1983 TIP3 H2 16.62853 14.17161 7.70408 SOLV 2080 7.70408 6604 1984 TIP3 OH2 16.53860 9.38665 -7.93210 SOLV 2081 -7.93210 6605 1984 TIP3 H1 15.96667 10.17867 -7.94094 SOLV 2081 -7.94094 6606 1984 TIP3 H2 16.61182 9.12228 -6.94032 SOLV 2081 -6.94032 6607 1985 TIP3 OH2 23.57655 15.33170 -2.03847 SOLV 2082 -2.03847 6608 1985 TIP3 H1 23.63477 14.51423 -2.54169 SOLV 2082 -2.54169 6609 1985 TIP3 H2 24.35825 15.85462 -2.35422 SOLV 2082 -2.35422 6610 1986 SOD SOD 15.44209 16.22040 -2.65820 SOLV 2083 -2.65820 6611 1987 SOD SOD 20.16579 14.88626 -5.40347 SOLV 2084 -5.40347 6612 1988 TIP3 OH2 21.25976 -5.91867 -4.57522 SOLV 2085 -4.57522 6613 1988 TIP3 H1 20.78647 -6.07011 -3.71645 SOLV 2085 -3.71645 6614 1988 TIP3 H2 22.07482 -6.40882 -4.33913 SOLV 2085 -4.33913 6615 1989 TIP3 OH2 19.84812 3