@MOLECULE 2-amino-9-{[(2s)-2-(hydroxymethyl)cyclohexyl]methyl}-3,9-dihydro-6h-purin-6-one 39 41 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -4.1820 2.2449 -1.0782 O.3 1 UNL1 -0.5331 2 O 4.8250 -0.7455 0.6049 O.2 1 UNL1 -0.3665 3 N 0.5120 -0.8954 -1.1093 N.ar 1 UNL1 -0.3084 4 N 1.3259 1.2922 -0.2035 N.ar 1 UNL1 -0.5277 5 N 2.3908 -2.1126 -0.7407 N.ar 1 UNL1 -0.2681 6 N 3.5872 1.1616 0.6628 N.ar 1 UNL1 -0.6155 7 N 2.3113 3.1158 0.9436 N.pl3 1 UNL1 -0.6075 8 C -1.6998 -0.4451 -0.0930 C.3 1 UNL1 -0.1361 9 C -3.0727 0.1972 -0.3704 C.3 1 UNL1 -0.1693 10 C -1.8853 -1.8364 0.5391 C.3 1 UNL1 -0.2759 11 C -3.8684 0.2909 0.9443 C.3 1 UNL1 -0.2642 12 C -2.6821 -1.7342 1.8436 C.3 1 UNL1 -0.2604 13 C -4.0477 -1.0900 1.5813 C.3 1 UNL1 -0.2672 14 C -0.8761 -0.5789 -1.3981 C.3 1 UNL1 -0.1101 15 C -2.9256 1.6140 -0.9543 C.3 1 UNL1 -0.0218 16 C 1.4323 -0.0587 -0.5013 C.ar 1 UNL1 0.2045 17 C 1.1448 -2.1599 -1.2159 C.ar 1 UNL1 0.0675 18 C 2.6039 -0.8254 -0.2866 C.ar 1 UNL1 -0.1645 19 C 3.7786 -0.2206 0.3471 C.ar 1 UNL1 0.6164 20 C 2.4772 1.8107 0.4642 C.ar 1 UNL1 0.5731 21 H -1.1451 0.1966 0.6324 H 1 UNL1 0.1445 22 H -3.6370 -0.4409 -1.0894 H 1 UNL1 0.1421 23 H -0.8978 -2.2972 0.7393 H 1 UNL1 0.1489 24 H -2.4035 -2.5138 -0.1643 H 1 UNL1 0.1395 25 H -4.8540 0.7584 0.7541 H 1 UNL1 0.1481 26 H -3.3552 0.9707 1.6512 H 1 UNL1 0.1445 27 H -2.1186 -1.1435 2.5907 H 1 UNL1 0.1425 28 H -2.8104 -2.7385 2.2891 H 1 UNL1 0.1395 29 H -4.6558 -1.7396 0.9252 H 1 UNL1 0.1357 30 H -4.6147 -0.9998 2.5267 H 1 UNL1 0.1375 31 H -0.9134 0.3611 -1.9981 H 1 UNL1 0.1547 32 H -1.3080 -1.3763 -2.0472 H 1 UNL1 0.1651 33 H -2.4413 1.6162 -1.9470 H 1 UNL1 0.1116 34 H -2.3804 2.2935 -0.2730 H 1 UNL1 0.1402 35 H 0.6573 -3.0141 -1.6503 H 1 UNL1 0.1941 36 H -4.8076 1.6792 -1.5730 H 1 UNL1 0.3111 37 H 0.4208 1.7276 -0.1119 H 1 UNL1 0.3225 38 H 1.8372 3.7746 0.3514 H 1 UNL1 0.2938 39 H 3.1336 3.5039 1.3961 H 1 UNL1 0.3191 @BOND 1 32 14 1 2 31 14 1 3 33 15 1 4 35 17 1 5 36 1 1 6 14 3 1 7 14 8 1 8 17 3 ar 9 17 5 ar 10 3 16 ar 11 22 9 1 12 1 15 1 13 15 9 1 14 15 34 1 15 5 18 ar 16 16 18 ar 17 16 4 ar 18 9 8 1 19 9 11 1 20 18 19 ar 21 4 37 1 22 4 20 ar 23 24 10 1 24 8 10 1 25 8 21 1 26 19 2 2 27 19 6 ar 28 38 7 1 29 20 6 ar 30 20 7 1 31 10 23 1 32 10 12 1 33 25 11 1 34 29 13 1 35 7 39 1 36 11 13 1 37 11 26 1 38 13 12 1 39 13 30 1 40 12 28 1 41 12 27 1