@MOLECULE 6-amino-1-(2-deoxy-alpha-d-erythro-pentofuranosyl)-1,5-dihydro-4h-pyrrolo[3,2-c]pyridin-4-one 34 36 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O4* 1.7730 1.0834 0.0684 O.3 1 UNL1 -0.4234 2 O3* 3.4308 -1.7988 -0.7302 O.3 1 UNL1 -0.5575 3 O5* 4.1321 1.0849 2.3116 O.3 1 UNL1 -0.5387 4 O -4.0377 -1.7858 1.1370 O.2 1 UNL1 -0.5034 5 N 0.0407 -0.3349 -0.5890 N.ar 1 UNL1 -0.3260 6 N -3.9318 0.3061 0.3432 N.ar 1 UNL1 -0.5868 7 N -4.0067 2.4987 -0.5191 N.pl3 1 UNL1 -0.6447 8 C1* 1.0986 0.5436 -1.0541 C.3 1 UNL1 0.3007 9 C2* 2.1616 -0.1946 -1.8919 C.3 1 UNL1 -0.3665 10 C3* 3.3431 -0.4043 -0.9319 C.3 1 UNL1 0.1226 11 C4* 2.9268 0.3067 0.3799 C.3 1 UNL1 -0.0040 12 C5* 3.9530 1.3003 0.9298 C.3 1 UNL1 -0.0312 13 C -1.2606 0.0582 -0.3208 C.ar 1 UNL1 0.2654 14 C 0.2135 -1.6575 -0.1114 C.ar 1 UNL1 -0.0954 15 C -1.9294 -1.0400 0.2744 C.ar 1 UNL1 -0.3268 16 C -0.9847 -2.1081 0.4000 C.ar 1 UNL1 -0.1260 17 C -1.9110 1.2859 -0.5846 C.ar 1 UNL1 -0.5035 18 C -3.3051 -0.9665 0.6321 C.ar 1 UNL1 0.6430 19 C -3.2525 1.3623 -0.2457 C.ar 1 UNL1 0.4906 20 H1* 0.6575 1.4405 -1.5560 H 1 UNL1 0.1557 21 H2*1 2.4502 0.3940 -2.7762 H 1 UNL1 0.1613 22 H2*2 1.7962 -1.1680 -2.2817 H 1 UNL1 0.1980 23 H3* 4.3075 -0.0523 -1.3457 H 1 UNL1 0.1271 24 H4* 2.6255 -0.4364 1.1555 H 1 UNL1 0.1677 25 H5*1 3.6425 2.3476 0.7477 H 1 UNL1 0.1420 26 H5*2 4.9692 1.1443 0.5236 H 1 UNL1 0.1452 27 H 1.1630 -2.1530 -0.1937 H 1 UNL1 0.1829 28 H3* 4.1135 -2.0162 -0.0636 H 1 UNL1 0.3256 29 H -1.2018 -3.0710 0.8174 H 1 UNL1 0.1742 30 H -1.3858 2.1185 -1.0196 H 1 UNL1 0.1776 31 H5* 3.3119 1.3024 2.8042 H 1 UNL1 0.3221 32 H -4.9212 0.3834 0.5580 H 1 UNL1 0.3213 33 H -4.8996 2.6330 -0.0952 H 1 UNL1 0.3001 34 H -3.5291 3.3313 -0.8005 H 1 UNL1 0.3109 @BOND 1 21 9 1 2 22 9 1 3 9 8 1 4 9 10 1 5 20 8 1 6 23 10 1 7 8 5 1 8 8 1 1 9 30 17 1 10 10 2 1 11 10 11 1 12 34 7 1 13 2 28 1 14 5 13 ar 15 5 14 ar 16 17 13 ar 17 17 19 ar 18 7 19 1 19 7 33 1 20 13 15 ar 21 19 6 ar 22 27 14 1 23 14 16 ar 24 1 11 1 25 15 16 ar 26 15 18 ar 27 6 32 1 28 6 18 ar 29 11 12 1 30 11 24 1 31 16 29 1 32 26 12 1 33 18 4 2 34 25 12 1 35 12 3 1 36 3 31 1