BOND SECTION ATOMS, CHARMM, TARGET, DIFFERENCE CE1-NE2: 1.31595 1.314 1.950026E-03 CE1-ND1: 1.35548 1.364 -8.520007E-03 NE2-CD2: 1.38289 1.382 8.900166E-04 NE2-CD2: 1.37925 1.377 2.250075E-03 CG-CD2: 1.35877 1.364 -5.22995E-03 CE1-HE1: 1.09165 1.079 1.265001E-02 ND1-HD1: 0.999296 0.998 1.295984E-03 CG-HG: 1.08072 1.078 2.719998E-03 CD2-HD2: 1.08332 1.077 6.32E-03 BOND DIFFERENCE STATISTICS AVERAGE DIFFERENCE: 4.647342E-03 STANDARD DEVIATION: 1.313729E-03 ____________________________ ANGLE SECTION ATOMS, CHARMM, TARGET, DIFFERENCE CE1-NE2-CD2: 105.266 104.94 0.325996 NE2-CD2-CG: 110.145 110.69 -0.545006 CD2-CG-ND1: 105.863 105.48 0.382996 CG-ND1-CE1: 106.927 106.90 2.700043E-02 ND1-CE1-NE2: 111.799 111.99 -0.190994 ND1-CE1-HE1: 123.669 122.51 1.159 NE2-CE1-HE1: 124.532 125.50 -0.968002 CG-ND1-HD1: 126.54 126.88 -0.339996 CE1-ND1-HD1: 126.533 126.22 0.312996 CD2-CG-HG: 129.621 132.60 -2.979 ND1-CG-HG: 124.516 121.92 2.596 NE2-CD2-HD2: 120.082 121.36 -1.278 CG-CD2-HD2: 129.773 127.95 1.823 ANGLE DIFFERENCE STATISTICS AVERAGE DIFFERENCE: 0.994462 STANDARD DEVIATION: 0.263055 ____________________________