@MOLECULE methyl (16alpha,17alpha)-11,17-dihydroxyyohimban-16-carboxylate 53 57 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.9444 -0.1756 1.0347 O.3 1 UNL1111111111 -0.5633 2 O -4.0660 -2.7443 -0.6352 O.3 1 UNL1111111111 -0.4246 3 O -2.3988 -2.3485 0.8124 O.2 1 UNL1111111111 -0.5092 4 O 6.6908 -2.4218 -0.1446 O.3 1 UNL1111111111 -0.4781 5 N -0.0085 2.2366 -0.0453 N.3 1 UNL1111111111 -0.4308 6 N 2.0845 -0.8431 0.4476 N.ar 1 UNL1111111111 -0.3827 7 C -2.2441 0.3809 0.1083 C.3 1 UNL1111111111 -0.0924 8 C -2.4080 1.8285 -0.3961 C.3 1 UNL1111111111 -0.1161 9 C -0.8086 -0.0740 -0.1876 C.3 1 UNL1111111111 -0.3073 10 C 0.1761 0.8704 0.5335 C.3 1 UNL1111111111 0.0569 11 C -3.2752 -0.5358 -0.5771 C.3 1 UNL1111111111 -0.2288 12 C -1.3615 2.7400 0.2873 C.3 1 UNL1111111111 -0.1270 13 C -3.8235 2.3348 -0.0920 C.3 1 UNL1111111111 -0.2771 14 C -4.7127 -0.0162 -0.3532 C.3 1 UNL1111111111 0.1651 15 C -4.8589 1.4465 -0.7894 C.3 1 UNL1111111111 -0.3330 16 C 1.5957 0.4638 0.3140 C.ar 1 UNL1111111111 0.0380 17 C 1.0516 3.1729 0.4079 C.3 1 UNL1111111111 -0.1063 18 C 2.6308 1.3228 -0.0087 C.ar 1 UNL1111111111 -0.0762 19 C 2.4029 2.7631 -0.2300 C.3 1 UNL1111111111 -0.2547 20 C -3.1679 -1.9317 -0.0142 C.2 1 UNL1111111111 0.6178 21 C 3.8305 0.5417 -0.0989 C.ar 1 UNL1111111111 -0.1482 22 C 3.4494 -0.8145 0.1841 C.ar 1 UNL1111111111 0.1829 23 C 5.1701 0.8368 -0.3781 C.ar 1 UNL1111111111 -0.0366 24 C 4.3765 -1.8668 0.1810 C.ar 1 UNL1111111111 -0.3950 25 C 6.1001 -0.1843 -0.3813 C.ar 1 UNL1111111111 -0.2884 26 C 5.6840 -1.5090 -0.1056 C.ar 1 UNL1111111111 0.3295 27 C -4.1031 -4.0916 -0.1725 C.3 1 UNL1111111111 -0.1644 28 H -2.4302 0.3451 1.2117 H 1 UNL1111111111 0.1661 29 H -2.2244 1.8544 -1.4975 H 1 UNL1111111111 0.1534 30 H -0.6081 -0.0536 -1.2757 H 1 UNL1111111111 0.1619 31 H -0.6489 -1.1138 0.1502 H 1 UNL1111111111 0.1583 32 H -0.0415 0.8571 1.6392 H 1 UNL1111111111 0.1335 33 H -3.0771 -0.5720 -1.6785 H 1 UNL1111111111 0.1766 34 H -1.4562 3.7722 -0.1130 H 1 UNL1111111111 0.1357 35 H -1.5493 2.7935 1.3801 H 1 UNL1111111111 0.1173 36 H -3.9374 3.3831 -0.4221 H 1 UNL1111111111 0.1352 37 H -3.9998 2.3337 1.0012 H 1 UNL1111111111 0.1460 38 H -5.4524 -0.6708 -0.8720 H 1 UNL1111111111 0.1306 39 H -5.8810 1.8078 -0.5722 H 1 UNL1111111111 0.1417 40 H -4.7442 1.5193 -1.8875 H 1 UNL1111111111 0.1535 41 H 1.1526 3.2013 1.5132 H 1 UNL1111111111 0.1190 42 H 0.7846 4.1962 0.0712 H 1 UNL1111111111 0.1329 43 H 3.2217 3.3788 0.1876 H 1 UNL1111111111 0.1454 44 H 2.3756 2.9708 -1.3227 H 1 UNL1111111111 0.1622 45 H 1.5357 -1.6451 0.6498 H 1 UNL1111111111 0.3205 46 H -5.6298 0.4378 1.3559 H 1 UNL1111111111 0.3195 47 H 5.4650 1.8634 -0.5883 H 1 UNL1111111111 0.1513 48 H 4.0815 -2.8836 0.3897 H 1 UNL1111111111 0.1678 49 H 7.1496 -0.0013 -0.5920 H 1 UNL1111111111 0.1738 50 H -4.8979 -4.5394 -0.7789 H 1 UNL1111111111 0.1420 51 H -4.3540 -4.1172 0.8942 H 1 UNL1111111111 0.1425 52 H -3.1385 -4.5782 -0.3491 H 1 UNL1111111111 0.1381 53 H 6.3747 -3.3356 0.0478 H 1 UNL1111111111 0.3254 @BOND 1 1 14 1 2 1 46 1 3 2 20 1 4 2 27 1 5 3 20 2 6 4 26 1 7 4 53 1 8 5 10 1 9 5 12 1 10 5 17 1 11 6 16 ar 12 6 22 ar 13 6 45 1 14 7 8 1 15 7 9 1 16 7 11 1 17 7 28 1 18 8 12 1 19 8 13 1 20 8 29 1 21 9 10 1 22 9 30 1 23 9 31 1 24 10 16 1 25 10 32 1 26 11 14 1 27 11 20 1 28 11 33 1 29 12 34 1 30 12 35 1 31 13 15 1 32 13 36 1 33 13 37 1 34 14 15 1 35 14 38 1 36 15 39 1 37 15 40 1 38 16 18 ar 39 17 19 1 40 17 41 1 41 17 42 1 42 18 19 1 43 18 21 ar 44 19 43 1 45 19 44 1 46 21 22 ar 47 21 23 ar 48 22 24 ar 49 23 25 ar 50 23 47 1 51 24 26 ar 52 24 48 1 53 25 26 ar 54 25 49 1 55 27 50 1 56 27 51 1 57 27 52 1