@MOLECULE 5-iodo-7-(beta-d-glycero-pentofuranosyl)-7h-pyrrolo[2,3-d]pyrimidin-4-amine 33 35 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 I -3.4685 0.8407 -0.1071 I 1 UNL1 0.0283 2 O4* 2.6097 1.1416 -0.6593 O.3 1 UNL1 -0.4228 3 O2* 3.6035 1.2715 2.3838 O.3 1 UNL1 -0.5495 4 O3* 5.3594 0.2916 0.7935 O.3 1 UNL1 -0.5415 5 O5* 4.1495 0.5320 -3.1346 O.3 1 UNL1 -0.5377 6 N 0.7454 0.4688 0.5484 N.ar 1 UNL1 -0.3227 7 N 1.3640 -1.9012 0.3996 N.ar 1 UNL1 -0.5535 8 N -0.4740 -3.3975 -0.0161 N.ar 1 UNL1 -0.5790 9 N -2.6663 -2.7541 -0.2830 N.pl3 1 UNL1 -0.5635 10 C1* 2.0613 1.0996 0.6328 C.3 1 UNL1 0.2725 11 C2* 3.0420 0.2999 1.5342 C.3 1 UNL1 0.0466 12 C3* 4.1014 -0.2742 0.5520 C.3 1 UNL1 0.0734 13 C4* 3.5566 0.0796 -0.8454 C.3 1 UNL1 0.0042 14 C5* 4.6061 0.6381 -1.8042 C.3 1 UNL1 -0.0157 15 C 0.4694 -0.8770 0.3538 C.ar 1 UNL1 0.3379 16 C -0.4574 1.1831 0.3909 C.ar 1 UNL1 -0.0288 17 C -0.9448 -1.0319 0.1251 C.ar 1 UNL1 -0.3187 18 C -1.4851 0.2912 0.1552 C.ar 1 UNL1 -0.1228 19 C -1.3800 -2.3706 -0.0596 C.ar 1 UNL1 0.4757 20 C 0.8301 -3.1234 0.2072 C.ar 1 UNL1 0.3146 21 H2* 4.3808 0.8963 2.8598 H 1 UNL1 0.3390 22 H3* 5.3143 1.2760 0.7712 H 1 UNL1 0.3292 23 H5* 3.2748 0.9684 -3.2241 H 1 UNL1 0.3220 24 H -2.8772 -3.7299 -0.4048 H 1 UNL1 0.3264 25 H -3.4175 -2.1063 -0.3457 H 1 UNL1 0.3167 26 H1* 1.9504 2.1705 0.9443 H 1 UNL1 0.1803 27 H2* 2.5514 -0.4803 2.1508 H 1 UNL1 0.1670 28 H3* 4.2787 -1.3622 0.6862 H 1 UNL1 0.1731 29 H4* 2.9988 -0.7735 -1.2971 H 1 UNL1 0.1731 30 H5*1 4.8455 1.6953 -1.5887 H 1 UNL1 0.1291 31 H5*2 5.5340 0.0323 -1.7954 H 1 UNL1 0.1611 32 H -0.4733 2.2569 0.4725 H 1 UNL1 0.1875 33 H 1.5178 -3.9865 0.2323 H 1 UNL1 0.1986 @BOND 1 23 5 1 2 5 14 1 3 14 31 1 4 14 30 1 5 14 13 1 6 29 13 1 7 13 2 1 8 13 12 1 9 2 10 1 10 24 9 1 11 25 9 1 12 9 19 1 13 1 18 1 14 19 8 ar 15 19 17 ar 16 8 20 ar 17 17 18 ar 18 17 15 ar 19 18 16 ar 20 20 33 1 21 20 7 ar 22 15 7 ar 23 15 6 ar 24 16 32 1 25 16 6 ar 26 6 10 1 27 12 28 1 28 12 4 1 29 12 11 1 30 10 26 1 31 10 11 1 32 22 4 1 33 11 27 1 34 11 3 1 35 3 21 1