@MOLECULE 2-cholanthrenol, 3-methyl- 38 42 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.9482 -1.9392 -0.8186 O.3 1 UNL111111111 -0.5437 2 C -0.7731 -1.0279 0.1465 C.ar 1 UNL111111111 0.0074 3 C -1.5243 0.1634 0.1116 C.ar 1 UNL111111111 -0.0336 4 C -3.1533 -1.5495 0.2807 C.3 1 UNL111111111 0.1674 5 C -1.7182 -2.1925 0.2121 C.3 1 UNL111111111 -0.3358 6 C -2.9312 -0.0606 0.1578 C.ar 1 UNL111111111 -0.0838 7 C 0.6058 -0.9598 0.0989 C.ar 1 UNL111111111 -0.0330 8 C -0.9470 1.4323 0.0195 C.ar 1 UNL111111111 -0.0003 9 C 1.2294 0.3319 0.0196 C.ar 1 UNL111111111 0.0064 10 C -3.7820 1.0026 0.0876 C.ar 1 UNL111111111 0.0593 11 C 0.4603 1.4909 -0.0218 C.ar 1 UNL111111111 -0.1709 12 C -1.8576 2.5338 -0.0322 C.ar 1 UNL111111111 -0.1405 13 C 2.6860 0.3881 -0.0205 C.ar 1 UNL111111111 -0.0085 14 C -3.2095 2.3175 -0.0019 C.ar 1 UNL111111111 -0.1680 15 C 1.4169 -2.1520 0.1244 C.ar 1 UNL111111111 -0.1373 16 C 3.4351 -0.8035 0.0103 C.ar 1 UNL111111111 -0.0027 17 C -5.2611 0.8546 0.1020 C.3 1 UNL111111111 -0.4548 18 C 2.7645 -2.0802 0.0818 C.ar 1 UNL111111111 -0.1585 19 C 3.3773 1.6136 -0.0889 C.ar 1 UNL111111111 -0.1485 20 C 4.8418 -0.7545 -0.0284 C.ar 1 UNL111111111 -0.1560 21 C 4.7600 1.6508 -0.1261 C.ar 1 UNL111111111 -0.1496 22 C 5.4992 0.4600 -0.0960 C.ar 1 UNL111111111 -0.1466 23 H -3.6883 -1.8264 1.2120 H 1 UNL111111111 0.1234 24 H -1.6276 -2.8254 -0.6900 H 1 UNL111111111 0.1696 25 H -1.5246 -2.8348 1.0852 H 1 UNL111111111 0.1575 26 H 0.9316 2.4703 -0.0883 H 1 UNL111111111 0.1602 27 H -1.4511 3.5404 -0.1010 H 1 UNL111111111 0.1547 28 H -3.8989 3.1598 -0.0489 H 1 UNL111111111 0.1532 29 H 0.8986 -3.1081 0.1785 H 1 UNL111111111 0.1534 30 H -3.9817 -2.9118 -0.8962 H 1 UNL111111111 0.3109 31 H -5.7408 1.4677 -0.6742 H 1 UNL111111111 0.1596 32 H -5.5697 -0.1870 -0.0877 H 1 UNL111111111 0.1742 33 H -5.6847 1.1545 1.0710 H 1 UNL111111111 0.1571 34 H 3.3831 -2.9758 0.1001 H 1 UNL111111111 0.1533 35 H 2.8195 2.5496 -0.1131 H 1 UNL111111111 0.1547 36 H 5.4086 -1.6836 -0.0036 H 1 UNL111111111 0.1512 37 H 5.2809 2.6047 -0.1797 H 1 UNL111111111 0.1495 38 H 6.5857 0.4993 -0.1263 H 1 UNL111111111 0.1490 @BOND 1 1 4 1 2 1 30 1 3 2 3 ar 4 2 5 1 5 2 7 ar 6 3 6 ar 7 3 8 ar 8 4 5 1 9 4 6 1 10 4 23 1 11 5 24 1 12 5 25 1 13 6 10 ar 14 7 9 ar 15 7 15 ar 16 8 11 ar 17 8 12 ar 18 9 11 ar 19 9 13 ar 20 10 14 ar 21 10 17 1 22 11 26 1 23 12 14 ar 24 12 27 1 25 13 16 ar 26 13 19 ar 27 14 28 1 28 15 18 ar 29 15 29 1 30 16 18 ar 31 16 20 ar 32 17 31 1 33 17 32 1 34 17 33 1 35 18 34 1 36 19 21 ar 37 19 35 1 38 20 22 ar 39 20 36 1 40 21 22 ar 41 21 37 1 42 22 38 1