@MOLECULE (2s)-4-(6-amino-9h-purin-9-yl)-1,2-butanediol 29 30 0 0 0 SMALL GASTEIGER @ATOM 1 O 3.5244 0.7838 1.0308 O.3 1 UNL111111111 -0.5563 2 O 5.6186 0.2745 -0.7802 O.3 1 UNL111111111 -0.5414 3 N -0.2797 -0.7846 0.6455 N.ar 1 UNL111111111 -0.3175 4 N -2.1110 -1.9442 -0.0572 N.ar 1 UNL111111111 -0.3374 5 N -1.2089 1.5131 0.4643 N.ar 1 UNL111111111 -0.5006 6 N -3.5084 1.5351 -0.2944 N.ar 1 UNL111111111 -0.5741 7 N -4.7242 -0.3938 -0.8068 N.pl3 1 UNL111111111 -0.5554 8 C 1.9409 -0.3305 -0.3080 C.3 1 UNL111111111 -0.3343 9 C 1.1095 -0.5016 0.9762 C.3 1 UNL111111111 -0.0525 10 C 3.4250 -0.2349 0.0560 C.3 1 UNL111111111 0.1168 11 C -1.2527 0.1587 0.3649 C.ar 1 UNL111111111 0.2784 12 C 4.2723 0.1218 -1.1777 C.3 1 UNL111111111 -0.0707 13 C -2.4065 -0.5850 -0.0646 C.ar 1 UNL111111111 -0.2076 14 C -0.8472 -2.0499 0.3530 C.ar 1 UNL111111111 0.1081 15 C -3.5612 0.1745 -0.3941 C.ar 1 UNL111111111 0.4667 16 C -2.3589 2.1263 0.1239 C.ar 1 UNL111111111 0.2944 17 H 1.7651 -1.1641 -1.0107 H 1 UNL111111111 0.1512 18 H 1.6125 0.5947 -0.8294 H 1 UNL111111111 0.1769 19 H 1.5128 -1.3164 1.6167 H 1 UNL111111111 0.1510 20 H 1.1589 0.4448 1.5812 H 1 UNL111111111 0.1985 21 H 3.7928 -1.1675 0.5412 H 1 UNL111111111 0.1201 22 H 4.0183 1.1253 -1.5750 H 1 UNL111111111 0.1636 23 H 4.1889 -0.6243 -1.9833 H 1 UNL111111111 0.1259 24 H -0.2973 -2.9676 0.4813 H 1 UNL111111111 0.1942 25 H 4.3952 1.2350 0.9647 H 1 UNL111111111 0.3363 26 H -2.3771 3.2290 0.1876 H 1 UNL111111111 0.2018 27 H 6.0093 -0.5836 -0.5209 H 1 UNL111111111 0.3130 28 H -4.7922 -1.3898 -0.8883 H 1 UNL111111111 0.3273 29 H -5.5191 0.1738 -1.0280 H 1 UNL111111111 0.3235 @BOND 1 1 10 1 2 1 25 1 3 2 12 1 4 2 27 1 5 3 9 1 6 3 11 ar 7 3 14 ar 8 4 13 ar 9 4 14 ar 10 5 11 ar 11 5 16 ar 12 6 15 ar 13 6 16 ar 14 7 15 1 15 7 28 1 16 7 29 1 17 8 9 1 18 8 10 1 19 8 17 1 20 8 18 1 21 9 19 1 22 9 20 1 23 10 12 1 24 10 21 1 25 11 13 ar 26 12 22 1 27 12 23 1 28 13 15 ar 29 14 24 1 30 16 26 1