@MOLECULE 3-(2,6-diamino-9h-purin-9-yl)-5-(hydroxymethyl)-1,2-cyclopentanediol 36 38 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.2677 -2.3805 1.3381 O.3 1 UNL1111 -0.5620 2 O -3.8758 -0.3948 1.1206 O.3 1 UNL1111 -0.5579 3 O -3.0705 2.4125 -1.7622 O.3 1 UNL1111 -0.5524 4 N 0.3763 -1.3395 -0.4830 N.ar 1 UNL1111 -0.3535 5 N 2.5262 -2.0063 -0.8477 N.ar 1 UNL1111 -0.3238 6 N 0.8343 0.9225 0.4172 N.ar 1 UNL1111 -0.6085 7 N 3.2442 1.4383 0.4766 N.ar 1 UNL1111 -0.6440 8 N 4.8834 -0.0742 -0.1944 N.pl3 1 UNL1111 -0.5591 9 N 1.6351 2.9588 1.2186 N.pl3 1 UNL1111 -0.5728 10 C -1.0769 -1.3992 -0.4310 C.3 1 UNL1111 0.0655 11 C -2.2762 0.7617 -0.3134 C.3 1 UNL1111 -0.1771 12 C -1.7307 -0.2921 -1.2890 C.3 1 UNL1111 -0.3003 13 C -1.5821 -1.1886 1.0280 C.3 1 UNL1111 0.0698 14 C -2.5390 0.0311 1.0153 C.3 1 UNL1111 0.0983 15 C -3.5383 1.4589 -0.8171 C.3 1 UNL1111 0.0072 16 C 1.1825 -0.2821 -0.0920 C.ar 1 UNL1111 0.3385 17 C 1.2520 -2.3698 -0.9316 C.ar 1 UNL1111 0.1154 18 C 2.5336 -0.7127 -0.3308 C.ar 1 UNL1111 -0.2554 19 C 3.5664 0.2110 -0.0168 C.ar 1 UNL1111 0.5038 20 C 1.9132 1.7309 0.6761 C.ar 1 UNL1111 0.5846 21 H -1.3970 -2.4171 -0.7848 H 1 UNL1111 0.1704 22 H -1.4814 1.5419 -0.1515 H 1 UNL1111 0.1981 23 H -2.5286 -0.7145 -1.9217 H 1 UNL1111 0.1481 24 H -1.0102 0.1693 -1.9910 H 1 UNL1111 0.1737 25 H -0.7523 -1.0630 1.7542 H 1 UNL1111 0.1526 26 H -2.4216 0.6871 1.9019 H 1 UNL1111 0.1527 27 H -4.0637 1.9853 0.0011 H 1 UNL1111 0.1223 28 H -4.2383 0.7708 -1.3195 H 1 UNL1111 0.1101 29 H -2.8770 -2.2419 2.0977 H 1 UNL1111 0.3366 30 H -4.0792 -1.0760 0.4427 H 1 UNL1111 0.3260 31 H 0.8793 -3.3168 -1.2853 H 1 UNL1111 0.1942 32 H -3.8120 2.9421 -2.1064 H 1 UNL1111 0.3065 33 H 5.1530 -0.9645 -0.5676 H 1 UNL1111 0.3294 34 H 5.5881 0.5979 0.0335 H 1 UNL1111 0.3211 35 H 0.6852 3.2732 1.2482 H 1 UNL1111 0.3218 36 H 2.3716 3.6254 1.3315 H 1 UNL1111 0.3201 @BOND 1 1 13 1 2 1 29 1 3 2 14 1 4 2 30 1 5 3 15 1 6 3 32 1 7 4 10 1 8 4 16 ar 9 4 17 ar 10 5 17 ar 11 5 18 ar 12 6 16 ar 13 6 20 ar 14 7 19 ar 15 7 20 ar 16 8 19 1 17 8 33 1 18 8 34 1 19 9 20 1 20 9 35 1 21 9 36 1 22 10 12 1 23 10 13 1 24 10 21 1 25 11 12 1 26 11 14 1 27 11 15 1 28 11 22 1 29 12 23 1 30 12 24 1 31 13 14 1 32 13 25 1 33 14 26 1 34 15 27 1 35 15 28 1 36 16 18 ar 37 17 31 1 38 18 19 ar