@MOLECULE methyl (20alpha)-16,17-didehydroyohimban-16-carboxylate 49 53 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.9394 2.2185 0.8642 O.3 1 UNL1111111111 -0.4075 2 O 4.5710 2.3246 -0.6708 O.2 1 UNL1111111111 -0.5170 3 N -0.0705 -2.0292 0.5359 N.3 1 UNL1111111111 -0.4255 4 N -1.9087 1.2412 0.3107 N.ar 1 UNL1111111111 -0.3893 5 C 2.4002 -1.9046 0.4005 C.3 1 UNL1111111111 -0.1090 6 C 2.3172 -0.3628 0.4913 C.3 1 UNL1111111111 -0.0875 7 C -0.1736 -0.5690 0.8354 C.3 1 UNL1111111111 0.0479 8 C 0.9355 0.1431 0.0382 C.3 1 UNL1111111111 -0.2867 9 C 1.1892 -2.5577 1.1066 C.3 1 UNL1111111111 -0.1285 10 C 2.4726 -2.3500 -1.0668 C.3 1 UNL1111111111 -0.2662 11 C -1.5284 -0.0996 0.4223 C.ar 1 UNL1111111111 0.0592 12 C -1.2521 -2.7842 1.0245 C.3 1 UNL1111111111 -0.1059 13 C 3.3659 0.2710 -0.3716 C.2 1 UNL1111111111 -0.1768 14 C -2.6081 -0.9225 0.1447 C.ar 1 UNL1111111111 -0.1059 15 C -2.4916 -2.3925 0.1801 C.3 1 UNL1111111111 -0.2495 16 C 3.7313 -1.7859 -1.7362 C.3 1 UNL1111111111 -0.2895 17 C 3.9866 -0.3629 -1.3791 C.2 1 UNL1111111111 -0.0382 18 C -3.7218 -0.0799 -0.1759 C.ar 1 UNL1111111111 -0.0767 19 C -3.2507 1.2728 -0.0729 C.ar 1 UNL1111111111 0.1122 20 C 3.7170 1.6770 -0.1147 C.2 1 UNL1111111111 0.5956 21 C -5.0525 -0.3108 -0.5336 C.ar 1 UNL1111111111 -0.1058 22 C -4.0864 2.3686 -0.3222 C.ar 1 UNL1111111111 -0.2145 23 C -5.8744 0.7749 -0.7792 C.ar 1 UNL1111111111 -0.1971 24 C -5.3957 2.0981 -0.6747 C.ar 1 UNL1111111111 -0.1177 25 C 3.2065 3.5797 1.1834 C.3 1 UNL1111111111 -0.1692 26 H 3.3269 -2.2396 0.9251 H 1 UNL1111111111 0.1326 27 H 2.4791 -0.0658 1.5596 H 1 UNL1111111111 0.1502 28 H -0.0373 -0.3617 1.9339 H 1 UNL1111111111 0.1307 29 H 0.7939 -0.0524 -1.0443 H 1 UNL1111111111 0.1688 30 H 0.8706 1.2370 0.1732 H 1 UNL1111111111 0.1445 31 H 1.2161 -3.6559 0.9373 H 1 UNL1111111111 0.1375 32 H 1.2649 -2.3991 2.2039 H 1 UNL1111111111 0.1143 33 H 1.5586 -2.0099 -1.5984 H 1 UNL1111111111 0.1700 34 H 2.4579 -3.4513 -1.1392 H 1 UNL1111111111 0.1332 35 H -1.4603 -2.6066 2.1001 H 1 UNL1111111111 0.1182 36 H -1.0516 -3.8686 0.8976 H 1 UNL1111111111 0.1339 37 H -3.3996 -2.8676 0.5966 H 1 UNL1111111111 0.1452 38 H -2.3748 -2.7846 -0.8545 H 1 UNL1111111111 0.1629 39 H 3.6480 -1.8949 -2.8386 H 1 UNL1111111111 0.1547 40 H 4.6184 -2.3929 -1.4480 H 1 UNL1111111111 0.1556 41 H 4.7400 0.1467 -1.9899 H 1 UNL1111111111 0.1616 42 H -1.3052 2.0229 0.4031 H 1 UNL1111111111 0.3160 43 H -5.4225 -1.3294 -0.6147 H 1 UNL1111111111 0.1500 44 H -3.7164 3.3836 -0.2407 H 1 UNL1111111111 0.1545 45 H -6.9125 0.6163 -1.0595 H 1 UNL1111111111 0.1476 46 H -6.0811 2.9191 -0.8788 H 1 UNL1111111111 0.1454 47 H 4.2381 3.6932 1.5325 H 1 UNL1111111111 0.1386 48 H 2.4886 3.7899 1.9839 H 1 UNL1111111111 0.1435 49 H 3.0329 4.2144 0.3079 H 1 UNL1111111111 0.1397 @BOND 1 1 20 1 2 1 25 1 3 2 20 2 4 3 7 1 5 3 9 1 6 3 12 1 7 4 11 ar 8 4 19 ar 9 4 42 1 10 5 6 1 11 5 9 1 12 5 10 1 13 5 26 1 14 6 8 1 15 6 13 1 16 6 27 1 17 7 8 1 18 7 11 1 19 7 28 1 20 8 29 1 21 8 30 1 22 9 31 1 23 9 32 1 24 10 16 1 25 10 33 1 26 10 34 1 27 11 14 ar 28 12 15 1 29 12 35 1 30 12 36 1 31 13 17 2 32 13 20 1 33 14 15 1 34 14 18 ar 35 15 37 1 36 15 38 1 37 16 17 1 38 16 39 1 39 16 40 1 40 17 41 1 41 18 19 ar 42 18 21 ar 43 19 22 ar 44 21 23 ar 45 21 43 1 46 22 24 ar 47 22 44 1 48 23 24 ar 49 23 45 1 50 24 46 1 51 25 47 1 52 25 48 1 53 25 49 1