@MOLECULE methyl (3alpha,5alpha,12beta,20r)-6,7-didehydro-2,20-cycloaspidospermidine-3-carboxylate 49 54 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.1263 -3.2464 -0.0485 O.3 1 UNL1111111111 -0.3707 2 O 1.8564 -2.6846 0.8449 O.2 1 UNL1111111111 -0.5283 3 N 1.5420 1.5319 1.5649 N.3 1 UNL1111111111 -0.4291 4 N -1.5993 -0.8547 -1.1934 N.pl3 1 UNL1111111111 -0.5249 5 C -0.2512 -0.3831 -0.9084 C.3 1 UNL1111111111 0.1887 6 C -0.3645 0.4002 0.4926 C.3 1 UNL1111111111 0.0022 7 C 1.5127 1.0382 -0.9536 C.3 1 UNL1111111111 -0.0164 8 C 0.7309 1.4860 0.3472 C.3 1 UNL1111111111 0.0208 9 C 0.2921 0.7872 -1.8682 C.3 1 UNL1111111111 -0.1640 10 C 0.9253 -1.3699 -0.9709 C.3 1 UNL1111111111 -0.2218 11 C 2.1286 -0.3944 -0.8357 C.3 1 UNL1111111111 -0.2659 12 C -0.0364 -0.2864 1.8269 C.3 1 UNL1111111111 -0.2911 13 C -1.8093 0.7935 0.4539 C.ar 1 UNL1111111111 -0.1425 14 C 1.3566 0.2294 2.2620 C.3 1 UNL1111111111 -0.1130 15 C 2.5702 2.0470 -1.1626 C.2 1 UNL1111111111 -0.1746 16 C 0.5748 0.4062 -3.3054 C.3 1 UNL1111111111 -0.4405 17 C -2.4869 0.0165 -0.5274 C.ar 1 UNL1111111111 0.2151 18 C 2.9546 1.9212 1.3084 C.3 1 UNL1111111111 -0.1087 19 C 0.9711 -2.4595 0.0567 C.2 1 UNL1111111111 0.5966 20 C 3.2426 2.4508 -0.0747 C.2 1 UNL1111111111 -0.1726 21 C -2.5045 1.6937 1.2294 C.ar 1 UNL1111111111 -0.0818 22 C -3.8583 0.1300 -0.7145 C.ar 1 UNL1111111111 -0.2698 23 C -3.8881 1.8213 1.0361 C.ar 1 UNL1111111111 -0.2224 24 C -4.5479 1.0449 0.0890 C.ar 1 UNL1111111111 -0.0813 25 C -0.2152 -4.3188 0.8845 C.3 1 UNL1111111111 -0.1763 26 H 0.3040 2.5050 0.1945 H 1 UNL1111111111 0.1582 27 H -0.4197 1.6392 -1.8619 H 1 UNL1111111111 0.1530 28 H 0.9317 -1.8716 -1.9736 H 1 UNL1111111111 0.1802 29 H 2.6677 -0.5307 0.1152 H 1 UNL1111111111 0.1691 30 H 2.8701 -0.5601 -1.6316 H 1 UNL1111111111 0.1484 31 H -0.0890 -1.3810 1.7802 H 1 UNL1111111111 0.1551 32 H -0.7922 -0.0012 2.5860 H 1 UNL1111111111 0.1596 33 H -1.8096 -1.1673 -2.1242 H 1 UNL1111111111 0.3010 34 H 1.3914 0.4318 3.3512 H 1 UNL1111111111 0.1429 35 H 2.1418 -0.5206 2.0390 H 1 UNL1111111111 0.1356 36 H 2.7484 2.4135 -2.1636 H 1 UNL1111111111 0.1527 37 H 1.3941 -0.3143 -3.4086 H 1 UNL1111111111 0.1506 38 H -0.3110 -0.0228 -3.7885 H 1 UNL1111111111 0.1446 39 H 0.8655 1.2925 -3.8870 H 1 UNL1111111111 0.1523 40 H 3.6591 1.0842 1.5222 H 1 UNL1111111111 0.1385 41 H 3.1704 2.7156 2.0659 H 1 UNL1111111111 0.1516 42 H 4.0419 3.1838 -0.1224 H 1 UNL1111111111 0.1460 43 H -1.9901 2.2961 1.9772 H 1 UNL1111111111 0.1601 44 H -4.3797 -0.4692 -1.4500 H 1 UNL1111111111 0.1581 45 H -4.4461 2.5325 1.6378 H 1 UNL1111111111 0.1489 46 H -5.6247 1.1504 -0.0378 H 1 UNL1111111111 0.1417 47 H -1.1670 -4.7926 0.6169 H 1 UNL1111111111 0.1478 48 H -0.2399 -3.9298 1.9078 H 1 UNL1111111111 0.1390 49 H 0.6268 -5.0062 0.7573 H 1 UNL1111111111 0.1374 @BOND 1 1 19 1 2 1 25 1 3 2 19 2 4 3 8 1 5 3 14 1 6 3 18 1 7 4 5 1 8 4 17 1 9 4 33 1 10 5 6 1 11 5 9 1 12 5 10 1 13 6 8 1 14 6 12 1 15 6 13 1 16 7 8 1 17 7 9 1 18 7 11 1 19 7 15 1 20 8 26 1 21 9 16 1 22 9 27 1 23 10 11 1 24 10 19 1 25 10 28 1 26 11 29 1 27 11 30 1 28 12 14 1 29 12 31 1 30 12 32 1 31 13 17 ar 32 13 21 ar 33 14 34 1 34 14 35 1 35 15 20 2 36 15 36 1 37 16 37 1 38 16 38 1 39 16 39 1 40 17 22 ar 41 18 20 1 42 18 40 1 43 18 41 1 44 20 42 1 45 21 23 ar 46 21 43 1 47 22 24 ar 48 22 44 1 49 23 24 ar 50 23 45 1 51 24 46 1 52 25 47 1 53 25 48 1 54 25 49 1