@MOLECULE (2r)-2-(6-amino-9h-purin-9-yl)-1-octanol 40 41 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.7804 -2.3753 -1.6864 O.3 1 UNL1111111111 -0.5239 2 N -1.2495 -0.7532 0.2384 N.ar 1 UNL1111111111 -0.3363 3 N -2.0356 0.8828 1.6153 N.ar 1 UNL1111111111 -0.3342 4 N -0.1390 0.6916 -1.4517 N.ar 1 UNL1111111111 -0.5146 5 N -0.3629 3.0509 -0.9569 N.ar 1 UNL1111111111 -0.5709 6 N -1.5003 3.8850 0.9074 N.pl3 1 UNL1111111111 -0.5504 7 C -0.8497 -2.0746 -0.2404 C.3 1 UNL1111111111 0.0255 8 C 0.0345 -2.8091 0.7842 C.3 1 UNL1111111111 -0.3021 9 C 1.2192 -1.9605 1.2648 C.3 1 UNL1111111111 -0.2673 10 C 2.1632 -1.5684 0.1227 C.3 1 UNL1111111111 -0.2823 11 C -2.1201 -2.8984 -0.5574 C.3 1 UNL1111111111 -0.0358 12 C 3.2331 -0.5896 0.6228 C.3 1 UNL1111111111 -0.2683 13 C -0.8491 0.4519 -0.3181 C.ar 1 UNL1111111111 0.2764 14 C 4.1224 -0.1271 -0.5392 C.3 1 UNL1111111111 -0.2451 15 C -1.9510 -0.4330 1.4288 C.ar 1 UNL1111111111 0.1156 16 C -1.3607 1.4741 0.5523 C.ar 1 UNL1111111111 -0.2066 17 C 5.1609 0.8869 -0.0595 C.3 1 UNL1111111111 -0.4398 18 C -1.0836 2.8172 0.1800 C.ar 1 UNL1111111111 0.4711 19 C 0.0640 2.0008 -1.7026 C.ar 1 UNL1111111111 0.3016 20 H -0.2698 -1.9260 -1.2022 H 1 UNL1111111111 0.1958 21 H -0.5676 -3.1216 1.6585 H 1 UNL1111111111 0.1425 22 H 0.4121 -3.7435 0.3223 H 1 UNL1111111111 0.1559 23 H 1.7818 -2.5203 2.0372 H 1 UNL1111111111 0.1406 24 H 0.8496 -1.0486 1.7744 H 1 UNL1111111111 0.1450 25 H 1.5959 -1.0947 -0.7052 H 1 UNL1111111111 0.1578 26 H 2.6368 -2.4670 -0.3107 H 1 UNL1111111111 0.1365 27 H -2.8299 -2.9238 0.2875 H 1 UNL1111111111 0.1252 28 H -1.8664 -3.9316 -0.8618 H 1 UNL1111111111 0.1537 29 H 3.8478 -1.0610 1.4103 H 1 UNL1111111111 0.1336 30 H 2.7515 0.2875 1.0956 H 1 UNL1111111111 0.1377 31 H 3.4968 0.3210 -1.3359 H 1 UNL1111111111 0.1411 32 H 4.6243 -0.9968 -1.0017 H 1 UNL1111111111 0.1295 33 H -2.3649 -1.1913 2.0738 H 1 UNL1111111111 0.1962 34 H 5.8093 0.4620 0.7141 H 1 UNL1111111111 0.1390 35 H 4.6820 1.7776 0.3637 H 1 UNL1111111111 0.1453 36 H 5.8026 1.2179 -0.8829 H 1 UNL1111111111 0.1376 37 H -2.8215 -1.3962 -1.6274 H 1 UNL1111111111 0.3217 38 H 0.6398 2.2529 -2.6114 H 1 UNL1111111111 0.2028 39 H -1.3025 4.8184 0.6039 H 1 UNL1111111111 0.3225 40 H -2.0436 3.7438 1.7374 H 1 UNL1111111111 0.3276 @BOND 1 1 11 1 2 1 37 1 3 2 7 1 4 2 13 ar 5 2 15 ar 6 3 15 ar 7 3 16 ar 8 4 13 ar 9 4 19 ar 10 5 18 ar 11 5 19 ar 12 6 18 1 13 6 39 1 14 6 40 1 15 7 8 1 16 7 11 1 17 7 20 1 18 8 9 1 19 8 21 1 20 8 22 1 21 9 10 1 22 9 23 1 23 9 24 1 24 10 12 1 25 10 25 1 26 10 26 1 27 11 27 1 28 11 28 1 29 12 14 1 30 12 29 1 31 12 30 1 32 13 16 ar 33 14 17 1 34 14 31 1 35 14 32 1 36 15 33 1 37 16 18 ar 38 17 34 1 39 17 35 1 40 17 36 1 41 19 38 1