@MOLECULE methyl (19alpha,20alpha)-10-methoxy-19-methyl-16,17-didehydro-18-oxayohimban-16-carboxylate 54 58 0 0 0 SMALL GASTEIGER @ATOM 1 O 4.0381 1.5444 1.6370 O.2 1 UNL1111111111 -0.3398 2 O 3.9164 -2.3768 -0.9251 O.3 1 UNL1111111111 -0.4098 3 O 4.7735 -2.5543 1.1463 O.2 1 UNL1111111111 -0.5337 4 O -6.8296 -0.5438 0.7151 O.3 1 UNL1111111111 -0.3227 5 N 0.4275 1.7561 -0.7781 N.3 1 UNL1111111111 -0.4257 6 N -1.5081 -1.4217 -0.3038 N.ar 1 UNL1111111111 -0.3730 7 C 2.8890 1.5971 -0.5229 C.3 1 UNL1111111111 -0.1839 8 C 2.7731 0.0545 -0.5046 C.3 1 UNL1111111111 -0.0568 9 C 0.3044 0.2772 -0.9662 C.3 1 UNL1111111111 0.0456 10 C 1.3656 -0.4021 -0.0817 C.3 1 UNL1111111111 -0.2920 11 C 1.7268 2.2237 -1.3148 C.3 1 UNL1111111111 -0.1212 12 C 2.9163 2.1181 0.9193 C.3 1 UNL1111111111 0.1400 13 C -1.0780 -0.1228 -0.5667 C.ar 1 UNL1111111111 0.0764 14 C -0.6857 2.5005 -1.4237 C.3 1 UNL1111111111 -0.1083 15 C -2.1483 0.7582 -0.4747 C.ar 1 UNL1111111111 -0.1311 16 C -2.0106 2.2103 -0.6835 C.3 1 UNL1111111111 -0.2453 17 C 3.7898 -0.4976 0.4405 C.2 1 UNL1111111111 -0.3646 18 C -3.3040 -0.0012 -0.1225 C.ar 1 UNL1111111111 -0.0061 19 C 3.1826 3.6111 1.0552 C.3 1 UNL1111111111 -0.4779 20 C 4.3426 0.2703 1.4048 C.2 1 UNL1111111111 0.2184 21 C -2.8773 -1.3655 -0.0140 C.ar 1 UNL1111111111 0.0367 22 C 4.2129 -1.8825 0.3119 C.2 1 UNL1111111111 0.6298 23 C -4.6402 0.3415 0.1113 C.ar 1 UNL1111111111 -0.2797 24 C -3.7707 -2.3908 0.3273 C.ar 1 UNL1111111111 -0.1371 25 C -5.4984 -0.6872 0.4483 C.ar 1 UNL1111111111 0.2203 26 C -5.0838 -2.0427 0.5583 C.ar 1 UNL1111111111 -0.2162 27 C 4.3760 -3.6961 -1.1892 C.3 1 UNL1111111111 -0.1697 28 C -7.3639 0.7703 0.6423 C.3 1 UNL1111111111 -0.2001 29 H 3.8458 1.8752 -1.0279 H 1 UNL1111111111 0.1505 30 H 2.9762 -0.3225 -1.5410 H 1 UNL1111111111 0.1583 31 H 0.4705 -0.0158 -2.0414 H 1 UNL1111111111 0.1323 32 H 1.1781 -0.1498 0.9832 H 1 UNL1111111111 0.1679 33 H 1.2930 -1.5010 -0.1568 H 1 UNL1111111111 0.1436 34 H 1.7665 3.3318 -1.2115 H 1 UNL1111111111 0.1410 35 H 1.8488 2.0011 -2.3975 H 1 UNL1111111111 0.1196 36 H 2.0025 1.8064 1.4758 H 1 UNL1111111111 0.1599 37 H -0.7933 2.2512 -2.5000 H 1 UNL1111111111 0.1182 38 H -0.4644 3.5868 -1.3483 H 1 UNL1111111111 0.1336 39 H -2.8637 2.6230 -1.2569 H 1 UNL1111111111 0.1442 40 H -2.0111 2.7292 0.3006 H 1 UNL1111111111 0.1605 41 H -0.9378 -2.2316 -0.2566 H 1 UNL1111111111 0.3154 42 H 2.2928 4.1947 0.7904 H 1 UNL1111111111 0.1611 43 H 3.4392 3.8650 2.0957 H 1 UNL1111111111 0.1660 44 H 4.0181 3.9422 0.4309 H 1 UNL1111111111 0.1547 45 H 5.1327 -0.0257 2.1012 H 1 UNL1111111111 0.1775 46 H -4.9555 1.3734 0.0274 H 1 UNL1111111111 0.1649 47 H -3.4348 -3.4205 0.4075 H 1 UNL1111111111 0.1576 48 H -5.8278 -2.7892 0.8293 H 1 UNL1111111111 0.1701 49 H 4.1965 -3.8139 -2.2624 H 1 UNL1111111111 0.1408 50 H 3.7918 -4.4138 -0.6036 H 1 UNL1111111111 0.1367 51 H 5.4414 -3.7879 -0.9496 H 1 UNL1111111111 0.1410 52 H -8.4197 0.6086 0.8972 H 1 UNL1111111111 0.1471 53 H -7.2745 1.1739 -0.3711 H 1 UNL1111111111 0.1322 54 H -6.8912 1.4270 1.3794 H 1 UNL1111111111 0.1331 @BOND 1 1 12 1 2 1 20 1 3 2 22 1 4 2 27 1 5 3 22 2 6 4 25 1 7 4 28 1 8 5 9 1 9 5 11 1 10 5 14 1 11 6 13 ar 12 6 21 ar 13 6 41 1 14 7 8 1 15 7 11 1 16 7 12 1 17 7 29 1 18 8 10 1 19 8 17 1 20 8 30 1 21 9 10 1 22 9 13 1 23 9 31 1 24 10 32 1 25 10 33 1 26 11 34 1 27 11 35 1 28 12 19 1 29 12 36 1 30 13 15 ar 31 14 16 1 32 14 37 1 33 14 38 1 34 15 16 1 35 15 18 ar 36 16 39 1 37 16 40 1 38 17 20 2 39 17 22 1 40 18 21 ar 41 18 23 ar 42 19 42 1 43 19 43 1 44 19 44 1 45 20 45 1 46 21 24 ar 47 23 25 ar 48 23 46 1 49 24 26 ar 50 24 47 1 51 25 26 ar 52 26 48 1 53 27 49 1 54 27 50 1 55 27 51 1 56 28 52 1 57 28 53 1 58 28 54 1