@MOLECULE (16beta,17alpha,20alpha)-n-(4-aminophenyl)-17-hydroxyyohimban-16-carboxamide 62 67 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.4454 -3.6285 -2.1236 O.3 1 UNL1111111111 -0.5828 2 O 2.9575 -1.0332 -1.5924 O.2 1 UNL1111111111 -0.5502 3 N -2.4171 -1.9100 1.0091 N.3 1 UNL1111111111 -0.4268 4 N -1.8741 1.6831 0.0375 N.ar 1 UNL1111111111 -0.3888 5 N 2.8423 -0.4072 0.5887 N.am 1 UNL1111111111 -0.5605 6 N 5.8780 4.3013 0.3774 N.pl3 1 UNL1111111111 -0.6252 7 C 0.4620 -2.1236 0.7050 C.3 1 UNL1111111111 -0.0991 8 C -0.4184 -3.3766 0.9198 C.3 1 UNL1111111111 -0.1087 9 C -0.3606 -0.9948 0.0664 C.3 1 UNL1111111111 -0.2972 10 C -1.5697 -0.6813 0.9711 C.3 1 UNL1111111111 0.0510 11 C 1.6993 -2.4732 -0.1396 C.3 1 UNL1111111111 -0.2869 12 C -1.6916 -2.9908 1.7148 C.3 1 UNL1111111111 -0.1298 13 C -0.8052 -4.0398 -0.4094 C.3 1 UNL1111111111 -0.2737 14 C 1.2854 -3.1568 -1.4718 C.3 1 UNL1111111111 0.1952 15 C 0.4401 -4.4074 -1.2122 C.3 1 UNL1111111111 -0.3074 16 C -2.3862 0.4416 0.4274 C.ar 1 UNL1111111111 0.0498 17 C -3.7510 -1.6563 1.6078 C.3 1 UNL1111111111 -0.1071 18 C -3.7656 0.4354 0.3006 C.ar 1 UNL1111111111 -0.1026 19 C -4.5715 -0.7487 0.6554 C.3 1 UNL1111111111 -0.2498 20 C 2.5487 -1.2538 -0.4691 C.2 1 UNL1111111111 0.5918 21 C -4.1560 1.7148 -0.2134 C.ar 1 UNL1111111111 -0.0790 22 C -2.9479 2.4723 -0.3789 C.ar 1 UNL1111111111 0.1141 23 C -5.3789 2.3016 -0.5505 C.ar 1 UNL1111111111 -0.1043 24 C -2.9575 3.7836 -0.8711 C.ar 1 UNL1111111111 -0.2134 25 C 3.6104 0.7817 0.4826 C.ar 1 UNL1111111111 0.1210 26 C -5.3834 3.5971 -1.0362 C.ar 1 UNL1111111111 -0.1967 27 C -4.1864 4.3278 -1.1945 C.ar 1 UNL1111111111 -0.1163 28 C 4.1512 1.3058 1.6673 C.ar 1 UNL1111111111 -0.1639 29 C 3.8092 1.4480 -0.7337 C.ar 1 UNL1111111111 -0.1158 30 C 4.8774 2.4862 1.6420 C.ar 1 UNL1111111111 -0.2514 31 C 4.5386 2.6278 -0.7647 C.ar 1 UNL1111111111 -0.2549 32 C 5.0806 3.1554 0.4216 C.ar 1 UNL1111111111 0.2221 33 H 0.8022 -1.7838 1.7152 H 1 UNL1111111111 0.1218 34 H 0.1578 -4.1132 1.5294 H 1 UNL1111111111 0.1305 35 H -0.7277 -1.2970 -0.9366 H 1 UNL1111111111 0.1763 36 H 0.2540 -0.0922 -0.0878 H 1 UNL1111111111 0.1420 37 H -1.2083 -0.3947 1.9981 H 1 UNL1111111111 0.1257 38 H 2.3406 -3.1998 0.4220 H 1 UNL1111111111 0.1790 39 H -2.3623 -3.8751 1.7786 H 1 UNL1111111111 0.1398 40 H -1.4183 -2.7197 2.7563 H 1 UNL1111111111 0.1102 41 H -1.4641 -3.3587 -0.9889 H 1 UNL1111111111 0.1690 42 H -1.4172 -4.9405 -0.2203 H 1 UNL1111111111 0.1348 43 H 0.7680 -2.4359 -2.1428 H 1 UNL1111111111 0.1289 44 H 1.0468 -5.1698 -0.6880 H 1 UNL1111111111 0.1520 45 H 0.1651 -4.8714 -2.1792 H 1 UNL1111111111 0.1547 46 H -3.6906 -1.1871 2.6107 H 1 UNL1111111111 0.1178 47 H -4.2728 -2.6295 1.7252 H 1 UNL1111111111 0.1358 48 H -5.5293 -0.4673 1.1325 H 1 UNL1111111111 0.1470 49 H -4.8315 -1.3167 -0.2658 H 1 UNL1111111111 0.1644 50 H -0.9115 1.9144 -0.0359 H 1 UNL1111111111 0.3180 51 H 3.0099 -2.8604 -2.3784 H 1 UNL1111111111 0.3477 52 H 2.5365 -0.6539 1.5229 H 1 UNL1111111111 0.3103 53 H -6.3010 1.7395 -0.4299 H 1 UNL1111111111 0.1503 54 H -2.0372 4.3427 -0.9915 H 1 UNL1111111111 0.1564 55 H -6.3236 4.0723 -1.3055 H 1 UNL1111111111 0.1483 56 H -4.2427 5.3439 -1.5821 H 1 UNL1111111111 0.1460 57 H 4.0058 0.7880 2.6136 H 1 UNL1111111111 0.1508 58 H 3.4009 1.0458 -1.6663 H 1 UNL1111111111 0.1946 59 H 5.3001 2.8850 2.5599 H 1 UNL1111111111 0.1580 60 H 4.7001 3.1372 -1.7111 H 1 UNL1111111111 0.1618 61 H 5.8212 4.8839 -0.4314 H 1 UNL1111111111 0.2888 62 H 6.0515 4.7886 1.2310 H 1 UNL1111111111 0.2869 @BOND 1 1 14 1 2 1 51 1 3 2 20 2 4 3 10 1 5 3 12 1 6 3 17 1 7 4 16 ar 8 4 22 ar 9 4 50 1 10 5 20 am 11 5 25 1 12 5 52 1 13 6 32 1 14 6 61 1 15 6 62 1 16 7 8 1 17 7 9 1 18 7 11 1 19 7 33 1 20 8 12 1 21 8 13 1 22 8 34 1 23 9 10 1 24 9 35 1 25 9 36 1 26 10 16 1 27 10 37 1 28 11 14 1 29 11 20 1 30 11 38 1 31 12 39 1 32 12 40 1 33 13 15 1 34 13 41 1 35 13 42 1 36 14 15 1 37 14 43 1 38 15 44 1 39 15 45 1 40 16 18 ar 41 17 19 1 42 17 46 1 43 17 47 1 44 18 19 1 45 18 21 ar 46 19 48 1 47 19 49 1 48 21 22 ar 49 21 23 ar 50 22 24 ar 51 23 26 ar 52 23 53 1 53 24 27 ar 54 24 54 1 55 25 28 ar 56 25 29 ar 57 26 27 ar 58 26 55 1 59 27 56 1 60 28 30 ar 61 28 57 1 62 29 31 ar 63 29 58 1 64 30 32 ar 65 30 59 1 66 31 32 ar 67 31 60 1