@MOLECULE 16-(methoxycarbonyl)-19-methyl-3,4,5,6,16,17-hexadehydro-18-oxayohimban-4-ium 47 51 0 0 0 SMALL GASTEIGER @ATOM 1 O 3.7544 1.4344 -1.3228 O.2 1 UNL1111 -0.3352 2 O 2.7264 -2.6141 0.8525 O.3 1 UNL1111 -0.4055 3 O 4.5200 -2.5971 -0.5021 O.2 1 UNL1111 -0.5361 4 N -0.1564 1.8320 0.5842 N.ar 1 UNL1111 -0.2529 5 N -2.1410 -1.1919 -0.3376 N.ar 1 UNL1111 -0.4355 6 C 2.3139 1.5224 0.6546 C.3 1 UNL1111 -0.1953 7 C 2.1171 -0.0051 0.5831 C.3 1 UNL1111 -0.0514 8 C 1.0836 2.1688 1.3054 C.3 1 UNL1111 -0.0982 9 C 0.7960 -0.3831 -0.1141 C.3 1 UNL1111 -0.2654 10 C 2.5811 2.0663 -0.7536 C.3 1 UNL1111 0.1353 11 C -0.3572 0.4953 0.2215 C.ar 1 UNL1111 -0.0529 12 C 3.2615 -0.5962 -0.1756 C.2 1 UNL1111 -0.3666 13 C -1.6735 0.0697 0.0513 C.ar 1 UNL1111 0.1506 14 C 2.9432 3.5435 -0.7874 C.3 1 UNL1111 -0.4795 15 C -1.2527 2.6685 0.8307 C.ar 1 UNL1111 -0.0746 16 C 3.9799 0.1516 -1.0434 C.2 1 UNL1111 0.2208 17 C -2.7962 0.9415 0.2470 C.ar 1 UNL1111 -0.1411 18 C -2.5495 2.2702 0.6303 C.ar 1 UNL1111 -0.1379 19 C -3.9785 0.1764 -0.0172 C.ar 1 UNL1111 -0.0516 20 C 3.6023 -1.9975 0.0081 C.2 1 UNL1111 0.6295 21 C -3.5433 -1.1514 -0.3635 C.ar 1 UNL1111 0.1441 22 C -5.3392 0.4639 0.0008 C.ar 1 UNL1111 -0.1145 23 C -4.4466 -2.1637 -0.6748 C.ar 1 UNL1111 -0.2258 24 C -6.2406 -0.5506 -0.3135 C.ar 1 UNL1111 -0.1894 25 C -5.8015 -1.8406 -0.6431 C.ar 1 UNL1111 -0.1175 26 C 2.9759 -3.9935 1.0976 C.3 1 UNL1111 -0.1696 27 H 3.2049 1.7369 1.2974 H 1 UNL1111 0.1593 28 H 2.0966 -0.4092 1.6287 H 1 UNL1111 0.1629 29 H 1.0078 1.8308 2.3673 H 1 UNL1111 0.1469 30 H 1.2012 3.2759 1.3262 H 1 UNL1111 0.1451 31 H 0.5671 -1.4417 0.1414 H 1 UNL1111 0.1592 32 H 0.9392 -0.3711 -1.2197 H 1 UNL1111 0.1615 33 H 1.7452 1.8250 -1.4510 H 1 UNL1111 0.1558 34 H 3.4209 3.8053 -1.7436 H 1 UNL1111 0.1688 35 H 2.0493 4.1711 -0.6896 H 1 UNL1111 0.1610 36 H 3.6483 3.8188 0.0046 H 1 UNL1111 0.1564 37 H -1.0079 3.6808 1.1485 H 1 UNL1111 0.1549 38 H 4.8470 -0.1784 -1.6238 H 1 UNL1111 0.1810 39 H -3.3789 2.9586 0.7661 H 1 UNL1111 0.1620 40 H -1.5782 -1.9994 -0.4606 H 1 UNL1111 0.3199 41 H -5.6848 1.4616 0.2561 H 1 UNL1111 0.1520 42 H -4.1128 -3.1614 -0.9323 H 1 UNL1111 0.1566 43 H -7.3074 -0.3411 -0.3037 H 1 UNL1111 0.1474 44 H -6.5378 -2.6065 -0.8799 H 1 UNL1111 0.1450 45 H 2.1906 -4.2609 1.8136 H 1 UNL1111 0.1434 46 H 3.9732 -4.1311 1.5285 H 1 UNL1111 0.1387 47 H 2.8851 -4.5643 0.1675 H 1 UNL1111 0.1386 @BOND 1 1 10 1 2 1 16 1 3 2 20 1 4 2 26 1 5 3 20 2 6 4 8 1 7 4 11 ar 8 4 15 ar 9 5 13 ar 10 5 21 ar 11 5 40 1 12 6 7 1 13 6 8 1 14 6 10 1 15 6 27 1 16 7 9 1 17 7 12 1 18 7 28 1 19 8 29 1 20 8 30 1 21 9 11 1 22 9 31 1 23 9 32 1 24 10 14 1 25 10 33 1 26 11 13 ar 27 12 16 2 28 12 20 1 29 13 17 ar 30 14 34 1 31 14 35 1 32 14 36 1 33 15 18 ar 34 15 37 1 35 16 38 1 36 17 18 ar 37 17 19 ar 38 18 39 1 39 19 21 ar 40 19 22 ar 41 21 23 ar 42 22 24 ar 43 22 41 1 44 23 25 ar 45 23 42 1 46 24 25 ar 47 24 43 1 48 25 44 1 49 26 45 1 50 26 46 1 51 26 47 1