@MOLECULE (1r,2r,3s,4r,5s)-4-{2-chloro-6-[(3-iodobenzyl)amino]-9h-purin-9-yl}bicyclo[3.1.0]hexane-2,3-diol 44 48 0 0 0 SMALL GASTEIGER @ATOM 1 I -5.9882 1.3145 0.5757 I 1 UNL11 -0.0050 2 CL 2.6647 -4.3044 1.1202 Cl 1 UNL11 0.0283 3 O 7.9075 2.3794 -1.3565 O.3 1 UNL11 -0.5323 4 O 7.0507 -0.0209 -1.0671 O.3 1 UNL11 -0.5377 5 N 3.8198 0.5218 0.0924 N.ar 1 UNL11 -0.3279 6 N 1.6977 1.1537 -0.4416 N.ar 1 UNL11 -0.3234 7 N 3.3757 -1.8635 0.6250 N.ar 1 UNL11 -0.4902 8 N 1.0280 -2.4598 0.3500 N.ar 1 UNL11 -0.5727 9 N -0.6128 -0.9253 -0.3260 N.pl3 1 UNL11 -0.4494 10 C 5.6016 1.7309 1.2664 C.3 1 UNL11 -0.1857 11 C 6.4168 2.7808 0.5277 C.3 1 UNL11 -0.2307 12 C 7.0714 1.8993 1.5703 C.3 1 UNL11 -0.3002 13 C 5.2545 0.5931 0.3106 C.3 1 UNL11 0.0599 14 C 6.5760 2.3625 -0.9247 C.3 1 UNL11 0.1065 15 C 5.9968 0.9104 -1.0293 C.3 1 UNL11 0.0622 16 C 3.0303 -0.6044 0.2393 C.ar 1 UNL11 0.2890 17 C 2.9562 1.5701 -0.3227 C.ar 1 UNL11 0.1165 18 C 1.6959 -0.1950 -0.1019 C.ar 1 UNL11 -0.2088 19 C 0.6791 -1.1902 -0.0336 C.ar 1 UNL11 0.4629 20 C 2.3255 -2.7028 0.6489 C.ar 1 UNL11 0.3863 21 C -1.6250 -1.9911 -0.2676 C.3 1 UNL11 -0.0714 22 C -2.9278 -1.4693 -0.8033 C.ar 1 UNL11 -0.0325 23 C -3.6634 -0.5512 -0.0501 C.ar 1 UNL11 -0.1606 24 C -3.3990 -1.9021 -2.0422 C.ar 1 UNL11 -0.1403 25 C -4.8709 -0.0800 -0.5544 C.ar 1 UNL11 -0.0636 26 C -4.6140 -1.4234 -2.5278 C.ar 1 UNL11 -0.1346 27 C -5.3596 -0.5078 -1.7861 C.ar 1 UNL11 -0.1515 28 H 4.8504 1.9771 2.0132 H 1 UNL11 0.1769 29 H 6.3126 3.8467 0.7060 H 1 UNL11 0.1694 30 H 7.7747 1.1218 1.2716 H 1 UNL11 0.1724 31 H 7.3760 2.3306 2.5206 H 1 UNL11 0.1633 32 H 5.6138 -0.4038 0.7098 H 1 UNL11 0.2152 33 H 6.0787 3.0625 -1.6295 H 1 UNL11 0.1499 34 H 5.3523 0.7734 -1.9180 H 1 UNL11 0.1395 35 H 8.4857 1.9037 -0.7161 H 1 UNL11 0.3271 36 H 7.5713 0.0906 -1.8954 H 1 UNL11 0.3325 37 H 3.3174 2.5703 -0.5019 H 1 UNL11 0.1989 38 H -0.8843 0.0009 -0.6341 H 1 UNL11 0.3415 39 H -1.2613 -2.8860 -0.8359 H 1 UNL11 0.1779 40 H -1.7310 -2.3453 0.7905 H 1 UNL11 0.1744 41 H -3.2781 -0.2247 0.9179 H 1 UNL11 0.1759 42 H -2.8194 -2.6123 -2.6331 H 1 UNL11 0.1660 43 H -4.9851 -1.7640 -3.4945 H 1 UNL11 0.1596 44 H -6.3077 -0.1458 -2.1846 H 1 UNL11 0.1664 @BOND 1 1 25 1 2 2 20 1 3 3 14 1 4 3 35 1 5 4 15 1 6 4 36 1 7 5 13 1 8 5 16 ar 9 5 17 ar 10 6 17 ar 11 6 18 ar 12 7 16 ar 13 7 20 ar 14 8 19 ar 15 8 20 ar 16 9 19 1 17 9 21 1 18 9 38 1 19 10 11 1 20 10 12 1 21 10 28 1 22 11 12 1 23 11 14 1 24 11 29 1 25 12 30 1 26 12 31 1 27 13 10 1 28 13 32 1 29 14 15 1 30 14 33 1 31 15 13 1 32 15 34 1 33 16 18 ar 34 17 37 1 35 18 19 ar 36 21 22 1 37 21 39 1 38 21 40 1 39 22 23 ar 40 22 24 ar 41 23 25 ar 42 23 41 1 43 24 26 ar 44 24 42 1 45 25 27 ar 46 26 27 ar 47 26 43 1 48 27 44 1