@MOLECULE methyl (3alpha,4alpha)-4-acetoxy-3-hydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidine-3-carboxylate 65 69 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -0.5061 -1.6739 0.5515 C.3 1 UNL1 0.0024 2 C 0.5011 -2.1217 -0.5411 C.3 1 UNL1 0.0301 3 C 0.0013 -0.5968 1.5656 C.3 1 UNL1 0.0039 4 C 1.2924 -0.9810 -1.2508 C.3 1 UNL1 0.0042 5 C 1.1636 0.2674 1.0201 C.3 1 UNL1 0.1678 6 C 1.1458 0.3779 -0.5176 C.3 1 UNL1 0.0768 7 C -2.5627 -1.4471 -1.0399 C.ar 1 UNL1 -0.0357 8 C -3.2962 0.7579 0.5933 C.ar 1 UNL1 -0.3232 9 C -3.7379 -0.7346 -1.3120 C.ar 1 UNL1 -0.3528 10 C 0.6664 -0.8692 -2.6738 C.3 1 UNL1 -0.2646 11 C -1.5819 0.4903 3.1756 C.3 1 UNL1 -0.2495 12 C 1.1572 0.2994 -3.5213 C.3 1 UNL1 -0.4438 13 C 0.5880 3.9111 1.3354 C.3 1 UNL1 -0.1704 14 C 3.6030 2.9808 -1.3265 C.3 1 UNL1 -0.5150 15 C -6.0896 0.7788 -1.6935 C.3 1 UNL1 -0.2003 16 H 3.0950 -0.1283 0.8849 H 1 UNL1 0.3431 17 C -4.0851 0.3421 -0.4969 C.ar 1 UNL1 0.2990 18 O 1.2392 1.8465 2.8957 O.2 1 UNL1 -0.4958 19 O 1.2241 2.8594 -1.7555 O.2 1 UNL1 -0.4902 20 C -0.8001 -2.9990 1.2910 C.3 1 UNL1 -0.3109 21 C 0.4794 -3.8411 1.1239 C.3 1 UNL1 -0.1126 22 C 2.6678 -2.9794 0.4266 C.3 1 UNL1 -0.1146 23 O 2.3435 -0.3258 1.4962 O.3 1 UNL1 -0.5339 24 C 1.0957 1.6382 1.7218 C.2 1 UNL1 0.5827 25 C 2.2379 2.3747 -1.3350 C.2 1 UNL1 0.6572 26 O 2.3307 1.1183 -0.8170 O.3 1 UNL1 -0.4694 27 O 0.8642 2.6149 0.8160 O.3 1 UNL1 -0.3950 28 O -5.1986 1.1076 -0.6370 O.3 1 UNL1 -0.3191 29 C -1.7672 -1.0640 0.0177 C.ar 1 UNL1 -0.2051 30 C -2.1341 0.0447 0.8258 C.ar 1 UNL1 0.2460 31 C 2.7517 -1.3012 -1.3867 C.2 1 UNL1 -0.1519 32 C 3.3837 -2.1957 -0.6251 C.2 1 UNL1 -0.1723 33 N -1.1374 0.3502 1.7834 N.pl3 1 UNL1 -0.4164 34 N 1.2800 -3.2598 0.0087 N.3 1 UNL1 -0.4316 35 H -0.1192 -2.6391 -1.3387 H 1 UNL1 0.1564 36 H 0.3463 -1.0693 2.5175 H 1 UNL1 0.1749 37 H -1.0642 -2.8435 2.3460 H 1 UNL1 0.1453 38 H -1.6691 -3.5069 0.8365 H 1 UNL1 0.1533 39 H -2.2959 -2.3024 -1.6603 H 1 UNL1 0.1507 40 H 1.0463 -3.8960 2.0723 H 1 UNL1 0.1271 41 H 0.2399 -4.8844 0.8281 H 1 UNL1 0.1424 42 H 0.2306 0.9250 -0.8557 H 1 UNL1 0.1906 43 H 3.2741 -0.7380 -2.1593 H 1 UNL1 0.1533 44 H 0.8705 -1.8188 -3.2098 H 1 UNL1 0.1436 45 H -0.4373 -0.7968 -2.5769 H 1 UNL1 0.1464 46 H 3.1557 -3.9740 0.5691 H 1 UNL1 0.1392 47 H 2.7340 -2.4486 1.4084 H 1 UNL1 0.1541 48 H -0.7279 0.8380 3.7916 H 1 UNL1 0.1760 49 H -2.3650 1.2661 3.2325 H 1 UNL1 0.1546 50 H -1.9779 -0.4405 3.6094 H 1 UNL1 0.1270 51 H -3.5912 1.6089 1.1953 H 1 UNL1 0.1825 52 H -4.3593 -1.0327 -2.1462 H 1 UNL1 0.1615 53 H 4.4422 -2.4119 -0.7320 H 1 UNL1 0.1419 54 H 0.6665 1.2401 -3.2316 H 1 UNL1 0.1688 55 H 2.2375 0.4515 -3.4391 H 1 UNL1 0.1414 56 H 0.9280 0.1371 -4.5805 H 1 UNL1 0.1374 57 H -0.3414 3.8837 1.9144 H 1 UNL1 0.1406 58 H 1.4178 4.2640 1.9536 H 1 UNL1 0.1309 59 H 0.4697 4.5131 0.4248 H 1 UNL1 0.1531 60 H 4.4017 2.2243 -1.3189 H 1 UNL1 0.1819 61 H 3.7475 3.6261 -2.2056 H 1 UNL1 0.1801 62 H 3.7359 3.6062 -0.4292 H 1 UNL1 0.1865 63 H -5.5951 0.8709 -2.6653 H 1 UNL1 0.1356 64 H -6.5108 -0.2208 -1.5505 H 1 UNL1 0.1330 65 H -6.8696 1.5447 -1.5856 H 1 UNL1 0.1511 @BOND 1 56 12 1 2 12 55 1 3 12 54 1 4 12 10 1 5 44 10 1 6 10 45 1 7 10 4 1 8 63 15 1 9 61 14 1 10 43 31 1 11 52 9 1 12 19 25 2 13 15 65 1 14 15 64 1 15 15 28 1 16 39 7 1 17 31 4 1 18 31 32 2 19 35 2 1 20 25 14 1 21 25 26 1 22 14 60 1 23 14 62 1 24 9 7 ar 25 9 17 ar 26 4 2 1 27 4 6 1 28 7 29 ar 29 42 6 1 30 26 6 1 31 53 32 1 32 28 17 1 33 32 22 1 34 2 34 1 35 2 1 1 36 6 5 1 37 17 8 ar 38 34 22 1 39 34 21 1 40 29 1 1 41 29 30 ar 42 59 13 1 43 22 46 1 44 22 47 1 45 1 20 1 46 1 3 1 47 8 30 ar 48 8 51 1 49 27 13 1 50 27 24 1 51 30 33 1 52 41 21 1 53 38 20 1 54 16 23 1 55 5 23 1 56 5 3 1 57 5 24 1 58 21 20 1 59 21 40 1 60 20 37 1 61 13 57 1 62 13 58 1 63 3 33 1 64 3 36 1 65 24 18 2 66 33 11 1 67 11 49 1 68 11 50 1 69 11 48 1