# Name: # Creating user name: ijen # Creation time: Thu May 27 13:29:06 1999 # Modifying user name: ijen # Modification time: Thu May 27 13:30:07 1999 @MOLECULE AM07A 8 7 1 0 0 PROTEIN GAST_HUCK @ATOM 1 O1 -0.1052 0.0000 0.1103 O.2 1 AAM07 -0.3715 2 C2 -0.0490 0.0000 1.3290 C.2 1 AAM07 0.1986 3 N3 1.1115 0.0000 2.0089 N.am 1 AAM07 -0.2032 4 C4 1.1030 0.0000 3.3538 C.2 1 AAM07 0.1986 5 O5 2.1220 0.0000 4.0248 O.2 1 AAM07 -0.3715 6 H6 -0.9661 0.0000 1.9164 H 1 AAM07 0.1610 7 H7 1.9892 0.0000 1.5296 H 1 AAM07 0.2270 8 H8 0.1296 0.0000 3.8421 H 1 AAM07 0.1610 @BOND 1 2 1 2 2 3 2 am 3 2 6 1 4 3 4 am 5 3 7 1 6 4 5 2 7 4 8 1 @SUBSTRUCTURE 1 AAM07 3 RESIDUE 1 A ALA 0 ROOT # Name: # Creating user name: ijen # Creation time: Thu May 27 14:01:00 1999 # Modifying user name: ijen # Modification time: Thu May 27 14:01:45 1999 @MOLECULE AR07A 9 9 1 0 0 PROTEIN GAST_HUCK @ATOM 1 O1 -0.3863 0.0000 0.3616 O.3 1 NFURA -0.2712 2 C2 -0.0617 0.0000 1.6874 C.2 1 NFURA 0.0766 3 C3 1.2931 0.0000 1.8468 C.2 1 NFURA -0.0687 4 C4 1.8496 0.0000 0.5328 C.2 1 NFURA -0.0687 5 C5 0.7912 0.0000 -0.3293 C.2 1 NFURA 0.0766 6 H6 -0.8482 0.0000 2.4406 H 1 NFURA 0.0951 7 H7 1.7237 0.0000 2.8471 H 1 NFURA 0.0327 8 H8 2.9303 0.0000 0.3991 H 1 NFURA 0.0327 9 H9 0.7836 0.0000 -1.4182 H 1 NFURA 0.0951 @BOND 1 1 2 1 2 5 1 1 3 3 2 2 4 2 6 1 5 4 3 1 6 3 7 1 7 5 4 2 8 4 8 1 9 5 9 1 @SUBSTRUCTURE 1 NFURA 5 RESIDUE 1 A ASN 0 ROOT # Name: # Creating user name: ijen # Creation time: Thu May 27 13:57:25 1999 # Modifying user name: ijen # Modification time: Thu May 27 14:00:26 1999 @MOLECULE CA07A 9 8 1 0 0 PROTEIN GAST_HUCK @ATOM 1 O1 -0.0002 -0.0004 0.0084 O.2 1 OICPPEN -0.3603 2 C2 0.0032 -0.0002 1.2284 C.2 1 OICPPEN 0.2508 3 C3 1.2783 -0.0004 1.9598 C.2 1 OICPPEN 0.0202 4 C4 1.3217 -0.0003 3.2941 C.2 1 OICPPEN -0.0769 5 O5 -1.1467 0.0000 1.8966 O.3 1 OICPPEN -0.2949 6 H6 2.2032 -0.0006 1.3850 H 1 OICPPEN 0.0703 7 H7 2.2819 0.0067 3.8077 H 1 OICPPEN 0.0695 8 H8 0.3968 -0.0071 3.8689 H 1 OICPPEN 0.0695 9 H9 -1.8440 0.3047 1.3278 H 1 OICPPEN 0.2518 @BOND 1 2 1 2 2 3 2 1 3 2 5 1 4 3 4 2 5 3 6 1 6 4 7 1 7 4 8 1 8 5 9 1 @SUBSTRUCTURE 1 OICPPEN 3 RESIDUE 1 A **** 0 ROOT # Name: # Creating user name: ijen # Creation time: Thu May 27 14:02:21 1999 # Modifying user name: ijen # Modification time: Thu May 27 14:02:49 1999 @MOLECULE CE07A 14 13 1 0 0 PROTEIN GAST_HUCK @ATOM 1 C1 0.0000 0.0000 0.0000 C.2 1 CE08CE08 0.2282 2 O2 0.0000 0.0000 1.3450 O.3 1 CE08CE08 -0.2756 3 C3 1.3140 0.0000 1.9820 C.3 1 CE08CE08 0.0821 4 O4 0.9770 0.0040 -0.7240 O.2 1 CE08CE08 -0.3548 5 H5 -0.9726 -0.0040 -0.4898 H 1 CE08CE08 0.1697 6 H6 2.0142 -0.6349 1.4193 H 1 CE08CE08 0.0645 7 C4 1.8520 1.4160 2.0080 C.3 1 CE08CE08 -0.0344 8 C2 1.0910 -0.5890 3.3570 C.3 1 CE08CE08 -0.0344 9 H9 2.7127 1.4687 2.6909 H 1 CE08CE08 0.0258 10 H10 1.0649 2.1009 2.3565 H 1 CE08CE08 0.0258 11 H11 2.1689 1.7065 0.9955 H 1 CE08CE08 0.0258 12 H12 0.2486 -0.0756 3.8436 H 1 CE08CE08 0.0258 13 H13 1.9995 -0.4587 3.9634 H 1 CE08CE08 0.0258 14 H14 0.8628 -1.6610 3.2640 H 1 CE08CE08 0.0258 @BOND 1 2 1 1 2 1 4 2 3 1 5 1 4 3 2 1 5 3 6 1 6 7 3 1 7 3 8 1 8 7 9 1 9 7 10 1 10 7 11 1 11 8 12 1 12 8 13 1 13 8 14 1 @SUBSTRUCTURE 1 CE08CE08 7 RESIDUE 1 A **** 0 ROOT # Name: # Creating user name: ijen # Creation time: Thu May 27 14:06:50 1999 # Modifying user name: ijen # Modification time: Thu May 27 14:08:35 1999 @MOLECULE CJ07A 8 7 1 0 0 PROTEIN GAST_HUCK @ATOM 1 C1 0.1212 -0.0001 -0.0537 C.2 1 CJ07CJ07 -0.0791 2 C2 0.0616 -0.0001 1.2799 C.2 1 CJ07CJ07 -0.0114 3 C3 1.2765 0.0000 2.1075 C.2 1 CJ07CJ07 0.1170 4 O4 2.3754 -0.0010 1.5777 O.2 1 CJ07CJ07 -0.3659 5 H5 0.8117 0.6668 -0.5679 H 1 CJ07CJ07 0.0700 6 H6 -0.5206 -0.6671 -0.6275 H 1 CJ07CJ07 0.0700 7 H7 -0.9194 -0.0001 1.7528 H 1 CJ07CJ07 0.0676 8 H8 1.1956 0.0010 3.1935 H 1 CJ07CJ07 0.1319 @BOND 1 2 1 2 2 1 5 1 3 1 6 1 4 3 2 1 5 2 7 1 6 3 4 2 7 8 3 1 @SUBSTRUCTURE 1 CJ07CJ07 8 RESIDUE 1 A **** 0 ROOT # Name: # Creating user name: ijen # Creation time: Thu May 27 14:09:08 1999 # Modifying user name: ijen # Modification time: Thu May 27 14:09:38 1999 @MOLECULE CO07A 13 12 1 0 0 PROTEIN GAST_HUCK @ATOM 1 C1 0.1520 0.0120 -0.0353 C.3 1 CO07CO07 -0.0402 2 C2 -0.0126 0.0067 1.4959 C.3 1 CO07CO07 0.0187 3 C3 1.3404 0.0270 2.1454 C.2 1 CO07CO07 0.0991 4 O4 2.3476 0.0295 1.4569 O.2 1 CO07CO07 -0.3749 5 H5 0.7048 -0.8831 -0.3565 H 1 CO07CO07 0.0288 6 H6 0.7037 0.9135 -0.3404 H 1 CO07CO07 0.0288 7 C4 -1.2363 0.0254 -0.7016 C.3 1 CO07CO07 -0.0631 8 H8 -0.5673 -0.8898 1.8098 H 1 CO07CO07 0.0493 9 H9 -0.5665 0.9068 1.8012 H 1 CO07CO07 0.0493 10 H10 1.4230 0.0394 3.2312 H 1 CO07CO07 0.1348 11 H11 -1.1374 0.3431 -1.7501 H 1 CO07CO07 0.0231 12 H12 -1.8928 0.7268 -0.1658 H 1 CO07CO07 0.0231 13 H13 -1.6697 -0.9849 -0.6639 H 1 CO07CO07 0.0231 @BOND 1 1 2 1 2 1 5 1 3 1 6 1 4 7 1 1 5 2 3 1 6 2 8 1 7 2 9 1 8 3 4 2 9 3 10 1 10 7 11 1 11 7 12 1 12 7 13 1 @SUBSTRUCTURE 1 CO07CO07 7 RESIDUE 1 A **** 0 ROOT # Name: # Creating user name: ijen # Creation time: Thu May 27 14:10:01 1999 # Modifying user name: ijen # Modification time: Thu May 27 14:10:42 1999 @MOLECULE HL07A 8 7 1 0 0 PROTEIN GAST_HUCK @ATOM 1 C1 -0.0056 -0.0009 0.0000 C.3 1 AHL07 -0.0180 2 C2 -0.0011 0.0017 1.5400 C.3 1 AHL07 0.1879 3 Cl3 1.6662 -0.0062 2.1251 Cl 1 AHL07 -0.0837 4 Cl4 -0.8265 1.4483 2.1302 Cl 1 AHL07 -0.0837 5 Cl5 -0.8334 -1.4377 2.1382 Cl 1 AHL07 -0.0837 6 H6 0.2612 -1.0033 -0.3663 H 1 AHL07 0.0270 7 H7 0.7268 0.7319 -0.3695 H 1 AHL07 0.0270 8 H8 -1.0086 0.2673 -0.3632 H 1 AHL07 0.0270 @BOND 1 1 2 1 2 1 6 1 3 1 7 1 4 1 8 1 5 2 3 1 6 2 4 1 7 2 5 1 @SUBSTRUCTURE 1 AHL07 1 RESIDUE 1 A ALA 0 ROOT # Name: # Creating user name: ijen # Creation time: Thu May 27 14:11:16 1999 # Modifying user name: ijen # Modification time: Thu May 27 14:11:57 1999 @MOLECULE IM07A 9 8 1 0 0 PROTEIN GAST_HUCK @ATOM 1 C1 -0.1553 0.0000 0.0948 C.2 1 IFFTBSCH -0.0741 2 C2 -0.0499 0.0000 1.4256 C.2 1 IFFTBSCH -0.0271 3 C3 1.2579 0.0000 2.0969 C.2 1 IFFTBSCH 0.0058 4 N4 1.3205 0.0000 3.3654 N.2 1 IFFTBSCH -0.3544 5 H5 0.4665 0.6669 -0.5006 H 1 IFFTBSCH 0.0770 6 H6 -0.8631 -0.6669 -0.3953 H 1 IFFTBSCH 0.0770 7 H7 -0.9650 0.0000 2.0160 H 1 IFFTBSCH 0.0681 8 H8 0.4766 0.0737 3.9117 H 1 IFFTBSCH 0.1203 9 H9 2.1730 0.0000 1.5066 H 1 IFFTBSCH 0.1073 @BOND 1 2 1 2 2 1 5 1 3 1 6 1 4 3 2 1 5 2 7 1 6 3 4 2 7 9 3 1 8 4 8 1 @SUBSTRUCTURE 1 IFFTBSCH 9 RESIDUE 1 A **** 0 ROOT # Name: # Creating user name: ijen # Creation time: Tue Jul 27 14:35:12 1999 # Modifying user name: ijen # Modification time: Tue Jul 27 14:38:29 1999 @MOLECULE NC07A 16 15 1 1 0 PROTEIN GAST_HUCK @ATOM 1 C1 -0.4822 0.4428 0.2970 C.3 1 ANC07 -0.0381 2 C2 -0.1576 0.3583 1.8096 C.3 1 ANC07 0.0579 3 N3 1.2656 0.4209 2.0195 N.2 1 ANC07 -0.2622 4 C4 1.5468 0.0545 3.2025 C.2 1 ANC07 0.3156 5 N5 1.1266 0.7346 4.2654 N.3 1 ANC07 -0.1680 6 N6 2.8249 -0.3133 3.2032 N.3 1 ANC07 -0.1680 7 H7 0.0305 -0.3699 -0.2408 H 1 ANC07 0.0255 8 H8 -0.1468 1.4071 -0.1154 H 1 ANC07 0.0255 9 H9 -1.5672 0.3489 0.1325 H 1 ANC07 0.0255 10 H10 -0.5423 -0.5991 2.1978 H 1 ANC07 0.0601 11 H11 -0.6647 1.1800 2.3426 H 1 ANC07 0.0601 12 H12 1.7082 1.2366 1.6259 H 1 ANC07 0.2398 13 H13 1.6861 1.6546 4.3491 H 1 ANC07 0.2065 14 H14 1.2586 0.1494 5.1635 H 1 ANC07 0.2065 15 H15 3.0130 -0.9619 4.0459 H 1 ANC07 0.2065 16 H16 3.4670 0.5530 3.2646 H 1 ANC07 0.2065 @BOND 1 2 1 1 2 1 7 1 3 1 8 1 4 1 9 1 5 2 3 1 6 2 10 1 7 2 11 1 8 3 4 2 9 3 12 1 10 4 5 1 11 4 6 1 12 5 13 1 13 5 14 1 14 6 15 1 15 6 16 1 @SUBSTRUCTURE 1 ANC07 3 RESIDUE 1 A ALA 0 ROOT # Name: # Creating user name: ijen # Creation time: Sun Dec 26 13:38:54 1999 # Modifying user name: ijen # Modification time: Sun Dec 26 13:38:54 1999 @MOLECULE NH07A 17 17 1 0 1 PROTEIN NO_CHARGES @DICT PROTEIN PROTEIN @ATOM 1 N1 0.0000 0.0000 0.0000 N.3 1 AXPIAXPI 0.0000 2 C2 0.0000 0.0000 1.4620 C.3 1 AXPIAXPI 0.0000 3 C3 1.4390 0.0000 1.9590 C.3 1 AXPIAXPI 0.0000 4 C4 2.1900 -1.2120 1.4100 C.3 1 AXPIAXPI 0.0000 5 C5 2.0670 -1.2750 -0.1110 C.3 1 AXPIAXPI 0.0000 6 C6 0.6020 -1.2250 -0.5250 C.3 1 AXPIAXPI 0.0000 7 H7 -0.9590 0.0760 -0.3370 H 1 AXPIAXPI 0.0000 8 H8 -0.5260 -0.8770 1.8850 H 1 AXPIAXPI 0.0000 9 H9 -0.5250 0.8960 1.8090 H 1 AXPIAXPI 0.0000 10 H10 1.4580 0.0030 3.0550 H 1 AXPIAXPI 0.0000 11 H11 1.9230 0.9210 1.6160 H 1 AXPIAXPI 0.0000 12 H12 1.7610 -2.1260 1.8430 H 1 AXPIAXPI 0.0000 13 H13 3.2430 -1.1830 1.7120 H 1 AXPIAXPI 0.0000 14 H14 2.5350 -2.1860 -0.5000 H 1 AXPIAXPI 0.0000 15 H15 2.5820 -0.4190 -0.5600 H 1 AXPIAXPI 0.0000 16 H16 0.0930 -2.1370 -0.1580 H 1 AXPIAXPI 0.0000 17 H17 0.5120 -1.2150 -1.6160 H 1 AXPIAXPI 0.0000 @BOND 1 1 2 1 2 6 1 1 3 1 7 1 4 2 3 1 5 2 8 1 6 2 9 1 7 4 3 1 8 3 10 1 9 3 11 1 10 5 4 1 11 4 12 1 12 4 13 1 13 6 5 1 14 5 14 1 15 5 15 1 16 6 16 1 17 17 6 1 @SUBSTRUCTURE 1 AXPIAXPI 17 RESIDUE 1 A **** 0 ROOT # Name: # Creating user name: ijen # Creation time: Sun Dec 26 13:39:21 1999 # Modifying user name: ijen # Modification time: Sun Dec 26 13:39:21 1999 @MOLECULE OH07A 19 19 1 0 1 PROTEIN NO_CHARGES @DICT PROTEIN PROTEIN @ATOM 1 C1 0.0000 0.0000 0.0000 C.3 1 AXCYAXCY 0.0000 2 C2 0.0000 0.0000 1.5230 C.3 1 AXCYAXCY 0.0000 3 C3 1.4230 0.0000 2.0810 C.3 1 AXCYAXCY 0.0000 4 C4 2.2280 1.1780 1.5350 C.3 1 AXCYAXCY 0.0000 5 C5 2.2290 1.1770 0.0070 C.3 1 AXCYAXCY 0.0000 6 C6 0.8040 1.1730 -0.5440 C.3 1 AXCYAXCY 0.0000 7 O7 -1.3280 -0.0250 -0.5300 O.3 1 AXCYAXCY 0.0000 8 H8 -0.5720 -0.8620 1.8830 H 1 AXCYAXCY 0.0000 9 H9 -0.5270 0.9020 1.8680 H 1 AXCYAXCY 0.0000 10 H10 1.9200 -0.9380 1.8000 H 1 AXCYAXCY 0.0000 11 H11 1.4000 0.0250 3.1760 H 1 AXCYAXCY 0.0000 12 H12 3.2550 1.1470 1.9170 H 1 AXCYAXCY 0.0000 13 H13 1.7860 2.1160 1.8950 H 1 AXCYAXCY 0.0000 14 H14 2.7570 0.2840 -0.3530 H 1 AXCYAXCY 0.0000 15 H15 2.7810 2.0420 -0.3770 H 1 AXCYAXCY 0.0000 16 H16 0.7980 1.1370 -1.6390 H 1 AXCYAXCY 0.0000 17 H17 0.2970 2.1050 -0.2510 H 1 AXCYAXCY 0.0000 18 H18 0.4490 -0.9350 -0.3560 H 1 AXCYAXCY 0.0000 19 H19 -1.7600 0.7950 -0.2320 H 1 AXCYAXCY 0.0000 @BOND 1 1 2 1 2 1 6 1 3 7 1 1 4 1 18 1 5 2 3 1 6 2 8 1 7 2 9 1 8 3 4 1 9 3 10 1 10 3 11 1 11 5 4 1 12 4 12 1 13 4 13 1 14 6 5 1 15 5 14 1 16 5 15 1 17 6 16 1 18 6 17 1 19 19 7 1 @SUBSTRUCTURE 1 AXCYAXCY 19 RESIDUE 1 A **** 0 ROOT # Name: # Creating user name: ijen # Creation time: Tue Jul 27 14:08:58 1999 # Modifying user name: ijen # Modification time: Tue Jul 27 14:09:19 1999 @MOLECULE OR07A 13 13 1 0 0 PROTEIN GAST_HUCK @ATOM 1 C1 -0.7522 -0.3116 -0.7649 C.3 1 FURNTHYD -0.0274 2 C2 -0.7841 -0.2259 0.7584 C.3 1 FURNTHYD -0.0274 3 C3 0.7043 -0.2102 1.0892 C.3 1 FURNTHYD 0.0477 4 O4 1.3551 0.4376 -0.0146 O.3 1 FURNTHYD -0.3798 5 C5 0.4154 0.6117 -1.0829 C.3 1 FURNTHYD 0.0477 6 H6 -1.6955 0.0790 -1.1744 H 1 FURNTHYD 0.0288 7 H7 -0.5919 -1.3379 -1.1268 H 1 FURNTHYD 0.0288 8 H8 -1.2751 -1.1217 1.1664 H 1 FURNTHYD 0.0288 9 H9 -1.3051 0.6740 1.1172 H 1 FURNTHYD 0.0288 10 H10 1.0679 -1.2430 1.1951 H 1 FURNTHYD 0.0560 11 H11 0.8857 0.3406 2.0239 H 1 FURNTHYD 0.0560 12 H12 0.0614 1.6526 -1.1177 H 1 FURNTHYD 0.0560 13 H13 0.8686 0.3455 -2.0492 H 1 FURNTHYD 0.0560 @BOND 1 1 2 1 2 5 1 1 3 1 6 1 4 1 7 1 5 3 2 1 6 2 8 1 7 2 9 1 8 4 3 1 9 3 10 1 10 3 11 1 11 5 4 1 12 5 12 1 13 5 13 1 @SUBSTRUCTURE 1 FURNTHYD 5 RESIDUE 1 A **** 0 ROOT # Name: # Creating user name: ijen # Creation time: Tue Jul 27 14:09:40 1999 # Modifying user name: ijen # Modification time: Tue Jul 27 14:10:04 1999 @MOLECULE RA07A 15 15 1 0 0 PROTEIN GAST_HUCK @ATOM 1 C1 -1.0927 0.1927 -0.7165 C.3 1 HCCYHCCY -0.0531 2 C2 -1.0371 0.2570 0.8262 C.3 1 HCCYHCCY -0.0531 3 C3 0.4559 0.2904 1.1615 C.3 1 HCCYHCCY -0.0531 4 C4 1.0567 -0.6399 0.1099 C.3 1 HCCYHCCY -0.0531 5 C5 0.3255 -0.2289 -1.1737 C.3 1 HCCYHCCY -0.0531 6 H6 -1.3464 1.1856 -1.1164 H 1 HCCYHCCY 0.0265 7 H7 -1.8439 -0.5394 -1.0477 H 1 HCCYHCCY 0.0265 8 H8 -1.5106 -0.6416 1.2484 H 1 HCCYHCCY 0.0265 9 H9 -1.5500 1.1540 1.2033 H 1 HCCYHCCY 0.0265 10 H10 0.6133 -0.1044 2.1761 H 1 HCCYHCCY 0.0265 11 H11 0.8680 1.3081 1.0954 H 1 HCCYHCCY 0.0265 12 H12 0.8349 -1.6844 0.3740 H 1 HCCYHCCY 0.0265 13 H13 2.1451 -0.5065 0.0224 H 1 HCCYHCCY 0.0265 14 H14 0.8278 0.6269 -1.6484 H 1 HCCYHCCY 0.0265 15 H15 0.2756 -1.0662 -1.8853 H 1 HCCYHCCY 0.0265 @BOND 1 1 2 1 2 5 1 1 3 1 6 1 4 1 7 1 5 3 2 1 6 2 8 1 7 2 9 1 8 4 3 1 9 3 10 1 10 3 11 1 11 5 4 1 12 4 12 1 13 4 13 1 14 5 14 1 15 5 15 1 @SUBSTRUCTURE 1 HCCYHCCY 5 RESIDUE 1 A **** 0 ROOT # Name: # Creating user name: ijen # Creation time: Tue Jul 27 14:10:32 1999 # Modifying user name: ijen # Modification time: Tue Jul 27 14:10:58 1999 @MOLECULE RE07A 13 12 1 0 0 PROTEIN GAST_HUCK @ATOM 1 C1 -0.9575 -0.6391 -1.8967 C.2 1 RE07RE07 -0.1146 2 C2 -0.9818 -0.6592 -0.5621 C.2 1 RE07RE07 -0.0773 3 C3 0.2905 -0.6606 0.2343 C.3 1 RE07RE07 0.0019 4 C4 0.3211 0.5420 1.1319 C.2 1 RE07RE07 -0.0773 5 C5 1.3005 1.4445 1.0392 C.2 1 RE07RE07 -0.1146 6 H6 -0.2863 0.0411 -2.4189 H 1 RE07RE07 0.0303 7 H7 -1.6088 -1.3030 -2.4633 H 1 RE07RE07 0.0303 8 H8 -1.9437 -0.6747 -0.0518 H 1 RE07RE07 0.0690 9 H9 1.1542 -0.6439 -0.4467 H 1 RE07RE07 0.0614 10 H10 0.3253 -1.5721 0.8492 H 1 RE07RE07 0.0614 11 H11 -0.4717 0.6725 1.8670 H 1 RE07RE07 0.0690 12 H12 1.2209 2.3911 1.5717 H 1 RE07RE07 0.0303 13 H13 2.1790 1.2340 0.4310 H 1 RE07RE07 0.0303 @BOND 1 2 1 2 2 1 6 1 3 1 7 1 4 3 2 1 5 2 8 1 6 4 3 1 7 3 9 1 8 3 10 1 9 5 4 2 10 4 11 1 11 5 12 1 12 5 13 1 @SUBSTRUCTURE 1 RE07RE07 5 RESIDUE 1 A **** 0 ROOT # Name: # Creating user name: ijen # Creation time: Tue Jul 27 15:53:08 1999 # Modifying user name: ijen # Modification time: Tue Jul 27 15:56:20 1999 @MOLECULE SR07A 13 13 1 0 0 PROTEIN GAST_HUCK @ATOM 1 C1 -0.7572 0.0689 -0.9615 C.ar 1 SR07SR07 0.0122 2 C2 -0.4777 0.1435 0.4072 C.ar 1 SR07SR07 -0.0501 3 C3 0.2941 0.0987 -1.8820 C.ar 1 SR07SR07 -0.0501 4 S1 -2.4199 -0.1590 -1.5241 S.3 1 SR07SR07 -0.1189 5 C5 0.8375 0.2836 0.8445 C.ar 1 SR07SR07 -0.0678 6 H6 -1.2859 0.0922 1.1278 H 1 SR07SR07 0.0565 7 C7 1.6114 0.2101 -1.4375 C.ar 1 SR07SR07 -0.0678 8 H8 0.0866 0.0352 -2.9441 H 1 SR07SR07 0.0565 9 H9 -2.2731 0.1540 -2.4710 H 1 SR07SR07 0.1222 10 C10 1.8874 0.3074 -0.0743 C.ar 1 SR07SR07 -0.0687 11 H11 1.0497 0.3749 1.9036 H 1 SR07SR07 0.0600 12 H12 2.4223 0.2210 -2.1568 H 1 SR07SR07 0.0600 13 H13 2.9124 0.4007 0.2658 H 1 SR07SR07 0.0559 @BOND 1 1 2 ar 2 3 1 ar 3 1 4 1 4 2 5 ar 5 7 3 ar 6 10 5 ar 7 2 6 1 8 3 8 1 9 4 9 1 10 10 7 ar 11 5 11 1 12 7 12 1 13 10 13 1 @SUBSTRUCTURE 1 SR07SR07 10 RESIDUE 1 A **** 0 ROOT # Name: # Creating user name: ijen # Creation time: Fri May 28 12:22:34 1999 # Modifying user name: ijen # Modification time: Fri May 28 12:23:25 1999 @MOLECULE BIPHENYL 22 23 1 0 0 PROTEIN GAST_HUCK @ATOM 1 C1 0.5604 1.3084 -0.0113 C.ar 1 BIPH1 -0.0617 2 C2 1.2482 0.2079 0.4912 C.ar 1 BIPH1 -0.0612 3 C3 0.6218 -1.0399 0.5554 C.ar 1 BIPH1 -0.0540 4 C4 -0.7030 -1.2084 0.1188 C.ar 1 BIPH1 -0.0179 5 C5 -1.3793 -0.0837 -0.3845 C.ar 1 BIPH1 -0.0540 6 C6 -0.7529 1.1641 -0.4496 C.ar 1 BIPH1 -0.0612 7 H7 1.0474 2.2756 -0.0608 H 1 BIPH1 0.0618 8 H8 2.2709 0.3180 0.8334 H 1 BIPH1 0.0618 9 H9 1.1588 -1.8964 0.9465 H 1 BIPH1 0.0624 10 H10 -2.4027 -0.1762 -0.7297 H 1 BIPH1 0.0624 11 H11 -1.2905 2.0198 -0.8418 H 1 BIPH1 0.0618 12 C12 -1.3445 -2.5398 0.1979 C.ar 1 BIPH1 -0.0179 13 C13 -2.5752 -2.6886 0.8599 C.ar 1 BIPH1 -0.0540 14 C14 -3.2001 -3.9358 0.9479 C.ar 1 BIPH1 -0.0612 15 C15 -2.6059 -5.0564 0.3740 C.ar 1 BIPH1 -0.0617 16 C16 -1.3858 -4.9309 -0.2868 C.ar 1 BIPH1 -0.0612 17 C17 -0.7619 -3.6837 -0.3738 C.ar 1 BIPH1 -0.0540 18 H18 -3.0547 -1.8282 1.3124 H 1 BIPH1 0.0624 19 H19 -4.1487 -4.0316 1.4635 H 1 BIPH1 0.0618 20 H20 -3.0924 -6.0227 0.4422 H 1 BIPH1 0.0618 21 H21 -0.9196 -5.8013 -0.7342 H 1 BIPH1 0.0618 22 H22 0.1868 -3.6070 -0.8927 H 1 BIPH1 0.0624 @BOND 1 2 1 ar 2 1 6 ar 3 1 7 1 4 2 3 ar 5 2 8 1 6 3 4 ar 7 3 9 1 8 4 5 ar 9 4 12 1 10 5 6 ar 11 5 10 1 12 6 11 1 13 12 13 ar 14 12 17 ar 15 13 14 ar 16 13 18 1 17 14 15 ar 18 14 19 1 19 15 16 ar 20 15 20 1 21 17 16 ar 22 16 21 1 23 17 22 1 @SUBSTRUCTURE 1 BIPH1 17 RESIDUE 1 A **** 0 ROOT