@MOLECULE 2-amino-7-(beta-d-ribofuranosyl)-1,7-dihydro-4h-pyrrolo[2,3-d]pyrimidin-4-one 20 22 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O4* 1.5638 -0.6407 0.0306 O.2 1 UNL1 -0.1215 2 O2* 2.3080 2.8012 0.0649 O.2 1 UNL1 -0.2083 3 O3* 4.6959 1.0155 -0.0702 O.2 1 UNL1 -0.3279 4 O5* 4.1162 -2.8527 -0.1800 O.2 1 UNL1 -0.1235 5 O -4.8417 0.1745 -0.4045 O.2 1 UNL1 -0.2815 6 N -0.0941 0.9901 0.0771 N.2 1 UNL1 -0.4247 7 N -0.9560 -1.1933 0.3062 N.2 1 UNL1 -0.3876 8 N -3.3479 -1.6021 -0.5027 N.am 1 UNL1 -0.3870 9 N -3.1706 -2.5575 0.6120 N.pl3 1 UNL1 -0.0546 10 C1* 1.1483 0.6607 0.0525 C.2 1 UNL1 0.3175 11 C2* 2.3320 1.6168 0.0311 C.2 1 UNL1 0.3022 12 C3* 3.5513 0.6752 -0.0374 C.2 1 UNL1 0.3944 13 C4* 2.9768 -0.6528 -0.0493 C.2 1 UNL1 -0.3645 14 C5* 3.5722 -1.8421 -0.1181 C.1 1 UNL1 0.5503 15 C -1.1598 0.1023 0.1081 C.2 1 UNL1 0.3861 16 C -2.9395 3.2823 0.1622 C.3 1 UNL1 0.4692 17 C -2.5268 0.7157 -0.0427 C.3 1 UNL1 0.0454 18 C -2.7404 1.9977 0.0724 C.3 1 UNL1 -0.5251 19 C -3.7227 -0.2177 -0.2778 C.2 1 UNL1 0.4581 20 C -2.1115 -1.9134 0.2693 C.2 1 UNL1 0.2831 @BOND 1 8 19 am 2 8 20 1 3 8 9 1 4 5 19 2 5 19 17 1 6 4 14 2 7 14 13 2 8 3 12 2 9 13 12 1 10 13 1 1 11 17 18 1 12 17 15 1 13 12 11 1 14 1 10 1 15 11 10 1 16 11 2 2 17 10 6 2 18 18 16 1 19 6 15 1 20 15 7 2 21 20 7 2 22 20 9 1