@MOLECULE divinorin b 54 57 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.2766 1.3267 -0.7519 O.3 1 UNL1111111111 -0.4280 2 O 0.4161 -2.3354 -1.5992 O.2 1 UNL1111111111 -0.4515 3 O 2.4846 -3.6771 -0.5719 O.3 1 UNL1111111111 -0.5328 4 O -2.4331 3.3148 -0.5901 O.2 1 UNL1111111111 -0.4564 5 O 5.0857 0.0171 1.5719 O.3 1 UNL1111111111 -0.4167 6 O 4.4849 1.7047 0.2274 O.2 1 UNL1111111111 -0.5003 7 O -5.7920 -1.6606 1.5093 O.2 1 UNL1111111111 -0.1677 8 C 1.8580 0.5012 -0.2455 C.3 1 UNL1111111111 0.1200 9 C -0.7042 0.1728 -0.7154 C.3 1 UNL1111111111 0.1297 10 C 0.6026 -0.4230 -0.1320 C.3 1 UNL1111111111 -0.2635 11 C -0.9348 1.5227 0.0030 C.3 1 UNL1111111111 -0.2463 12 C 1.5242 1.8840 0.3524 C.3 1 UNL1111111111 -0.3061 13 C 2.9579 -0.1772 0.6380 C.3 1 UNL1111111111 -0.2304 14 C 0.2358 2.4836 -0.2146 C.3 1 UNL1111111111 -0.2481 15 C -1.8881 -0.7246 -0.2987 C.3 1 UNL1111111111 -0.3788 16 C 0.9585 -1.7814 -0.6782 C.2 1 UNL1111111111 0.4210 17 C 3.3336 -1.5642 0.1025 C.3 1 UNL1111111111 -0.3096 18 C 2.3642 0.6483 -1.6800 C.3 1 UNL1111111111 -0.4737 19 C -0.7004 0.3222 -2.2345 C.3 1 UNL1111111111 -0.4776 20 C 2.1046 -2.4783 0.0558 C.3 1 UNL1111111111 0.0429 21 C -3.2386 -0.0939 -0.6652 C.3 1 UNL1111111111 0.1670 22 C -2.2250 2.1362 -0.4619 C.2 1 UNL1111111111 0.5958 23 C 4.2161 0.6507 0.7394 C.2 1 UNL1111111111 0.5942 24 C -4.2757 -0.4830 0.3250 C.ar 1 UNL1111111111 -0.1461 25 C -4.8617 0.3888 1.3147 C.ar 1 UNL1111111111 -0.2064 26 C -4.8747 -1.7057 0.4816 C.ar 1 UNL1111111111 -0.0381 27 C 6.3396 0.6605 1.7751 C.3 1 UNL1111111111 -0.1677 28 C -5.7686 -0.3688 2.0011 C.ar 1 UNL1111111111 -0.0261 29 H 0.4094 -0.5570 0.9707 H 1 UNL1111111111 0.1637 30 H -1.0394 1.3383 1.1063 H 1 UNL1111111111 0.1705 31 H 2.3668 2.5830 0.1548 H 1 UNL1111111111 0.1745 32 H 1.4496 1.8178 1.4535 H 1 UNL1111111111 0.1377 33 H 2.5564 -0.2882 1.6811 H 1 UNL1111111111 0.1726 34 H 0.0226 3.4590 0.2708 H 1 UNL1111111111 0.1591 35 H 0.3510 2.7246 -1.2892 H 1 UNL1111111111 0.1538 36 H -1.8484 -0.9353 0.7871 H 1 UNL1111111111 0.1546 37 H -1.8054 -1.7142 -0.7953 H 1 UNL1111111111 0.1781 38 H 4.1154 -2.0373 0.7368 H 1 UNL1111111111 0.1806 39 H 3.7944 -1.4986 -0.9036 H 1 UNL1111111111 0.1701 40 H 1.7598 1.3638 -2.2542 H 1 UNL1111111111 0.1637 41 H 3.3903 1.0422 -1.7098 H 1 UNL1111111111 0.1701 42 H 2.3551 -0.2971 -2.2317 H 1 UNL1111111111 0.1507 43 H -1.6689 0.6714 -2.6152 H 1 UNL1111111111 0.1599 44 H 0.0447 1.0436 -2.5855 H 1 UNL1111111111 0.1563 45 H -0.4890 -0.6341 -2.7329 H 1 UNL1111111111 0.1752 46 H 1.7824 -2.7922 1.0775 H 1 UNL1111111111 0.1565 47 H -3.5437 -0.3788 -1.7080 H 1 UNL1111111111 0.1560 48 H 2.0286 -3.7796 -1.4412 H 1 UNL1111111111 0.3375 49 H -4.6211 1.4261 1.4323 H 1 UNL1111111111 0.1831 50 H -4.8052 -2.6577 0.0115 H 1 UNL1111111111 0.1741 51 H 6.8730 0.7606 0.8236 H 1 UNL1111111111 0.1422 52 H 6.8593 -0.0240 2.4557 H 1 UNL1111111111 0.1480 53 H 6.1896 1.6437 2.2335 H 1 UNL1111111111 0.1405 54 H -6.4492 -0.2095 2.8022 H 1 UNL1111111111 0.1723 @BOND 1 1 21 1 2 1 22 1 3 2 16 2 4 3 20 1 5 3 48 1 6 4 22 2 7 5 23 1 8 5 27 1 9 6 23 2 10 7 26 ar 11 7 28 ar 12 8 10 1 13 8 12 1 14 8 13 1 15 8 18 1 16 9 10 1 17 9 11 1 18 9 15 1 19 9 19 1 20 10 16 1 21 10 29 1 22 11 14 1 23 11 22 1 24 11 30 1 25 12 14 1 26 12 31 1 27 12 32 1 28 13 17 1 29 13 23 1 30 13 33 1 31 14 34 1 32 14 35 1 33 15 21 1 34 15 36 1 35 15 37 1 36 16 20 1 37 17 20 1 38 17 38 1 39 17 39 1 40 18 40 1 41 18 41 1 42 18 42 1 43 19 43 1 44 19 44 1 45 19 45 1 46 20 46 1 47 21 24 1 48 21 47 1 49 24 25 ar 50 24 26 ar 51 25 28 ar 52 25 49 1 53 26 50 1 54 27 51 1 55 27 52 1 56 27 53 1 57 28 54 1