@MOLECULE (1r,3as,3bs,7s,9ar,9bs,11ar)-7-hydroxy-9a,11a-dimethyl-1-[(2s)-6-methyl-2-heptanyl]-1,2,3,3a,3b,5,7,8,9,9a,9b,10,11,11a-tetradecahydro-4h-cyclopenta[i]phenanthridin-4-one 72 75 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.6167 2.9479 1.0847 O.2 1 UNL1111111111 -0.5137 2 O 7.3695 0.1429 -1.2429 O.3 1 UNL1111111111 -0.5592 3 N 3.3957 1.9339 0.2116 N.am 1 UNL1111111111 -0.5763 4 C -0.8110 -0.6887 0.8363 C.3 1 UNL1111111111 0.0742 5 C -0.1092 0.6887 0.6043 C.3 1 UNL1111111111 -0.1180 6 C -2.3020 -0.2573 0.7094 C.3 1 UNL1111111111 -0.1420 7 C 1.3971 0.5596 0.8151 C.3 1 UNL1111111111 -0.2159 8 C 1.9468 -0.4228 -0.2446 C.3 1 UNL1111111111 -0.1252 9 C -0.3004 -1.6378 -0.2566 C.3 1 UNL1111111111 -0.2991 10 C -0.8954 1.6531 1.5002 C.3 1 UNL1111111111 -0.2731 11 C -2.3436 1.1177 1.4411 C.3 1 UNL1111111111 -0.2780 12 C 1.2297 -1.7811 -0.1729 C.3 1 UNL1111111111 -0.2726 13 C 3.4858 -0.5451 -0.0809 C.3 1 UNL1111111111 0.0446 14 C -3.3558 -1.2277 1.2687 C.3 1 UNL1111111111 -0.0945 15 C -0.5365 -1.2821 2.2230 C.3 1 UNL1111111111 -0.4585 16 C 2.0917 1.8949 0.7169 C.2 1 UNL1111111111 0.5799 17 C 4.0931 0.8282 -0.3125 C.2 1 UNL1111111111 0.1964 18 C 4.0425 -1.5309 -1.1323 C.3 1 UNL1111111111 -0.2752 19 C 3.8870 -1.0076 1.3275 C.3 1 UNL1111111111 -0.4541 20 C -4.7742 -0.6183 1.1933 C.3 1 UNL1111111111 -0.2886 21 C -3.3324 -2.5740 0.5336 C.3 1 UNL1111111111 -0.4535 22 C 5.5683 -1.4700 -1.2150 C.3 1 UNL1111111111 -0.3379 23 C 5.2482 1.0303 -0.9728 C.2 1 UNL1111111111 -0.3303 24 C 6.0168 -0.0626 -1.6372 C.3 1 UNL1111111111 0.1892 25 C -5.2060 -0.2515 -0.2316 C.3 1 UNL1111111111 -0.2620 26 C -6.6311 0.3146 -0.2337 C.3 1 UNL1111111111 -0.2889 27 C -7.1046 0.7757 -1.6264 C.3 1 UNL1111111111 -0.0603 28 C -7.1182 -0.3854 -2.6276 C.3 1 UNL1111111111 -0.4538 29 C -6.2428 1.9269 -2.1585 C.3 1 UNL1111111111 -0.4522 30 H -0.2832 1.0004 -0.4573 H 1 UNL1111111111 0.1423 31 H -2.5184 -0.0977 -0.3724 H 1 UNL1111111111 0.1350 32 H 1.5911 0.1655 1.8479 H 1 UNL1111111111 0.1801 33 H 1.7456 0.0119 -1.2574 H 1 UNL1111111111 0.1483 34 H -0.5938 -1.2656 -1.2549 H 1 UNL1111111111 0.1395 35 H -0.7687 -2.6334 -0.1609 H 1 UNL1111111111 0.1398 36 H -0.8193 2.6952 1.1469 H 1 UNL1111111111 0.1583 37 H -0.5051 1.6639 2.5294 H 1 UNL1111111111 0.1423 38 H -2.7552 1.0126 2.4566 H 1 UNL1111111111 0.1344 39 H -3.0054 1.8156 0.9069 H 1 UNL1111111111 0.1355 40 H 1.5038 -2.3100 0.7588 H 1 UNL1111111111 0.1430 41 H 1.5724 -2.4308 -1.0005 H 1 UNL1111111111 0.1349 42 H -3.1352 -1.4143 2.3490 H 1 UNL1111111111 0.1330 43 H 0.5312 -1.4352 2.4055 H 1 UNL1111111111 0.1421 44 H -0.9121 -0.6254 3.0163 H 1 UNL1111111111 0.1522 45 H -1.0246 -2.2552 2.3384 H 1 UNL1111111111 0.1425 46 H 3.6051 -1.3071 -2.1236 H 1 UNL1111111111 0.1444 47 H 3.7267 -2.5612 -0.8823 H 1 UNL1111111111 0.1436 48 H 4.9787 -1.0999 1.4161 H 1 UNL1111111111 0.1615 49 H 3.5780 -0.2944 2.1006 H 1 UNL1111111111 0.1536 50 H 3.4517 -1.9808 1.5715 H 1 UNL1111111111 0.1479 51 H 3.8497 2.8450 0.1670 H 1 UNL1111111111 0.3257 52 H -5.4960 -1.3369 1.6260 H 1 UNL1111111111 0.1343 53 H -4.8267 0.2784 1.8388 H 1 UNL1111111111 0.1367 54 H -3.3309 -2.4406 -0.5532 H 1 UNL1111111111 0.1441 55 H -4.2095 -3.1792 0.7886 H 1 UNL1111111111 0.1443 56 H -2.4465 -3.1595 0.8004 H 1 UNL1111111111 0.1393 57 H 6.0232 -1.7190 -0.2352 H 1 UNL1111111111 0.1619 58 H 5.9458 -2.2279 -1.9224 H 1 UNL1111111111 0.1356 59 H 5.7078 2.0112 -1.0705 H 1 UNL1111111111 0.1745 60 H 5.9714 0.0559 -2.7478 H 1 UNL1111111111 0.1158 61 H -4.5067 0.4903 -0.6614 H 1 UNL1111111111 0.1403 62 H -5.1501 -1.1404 -0.8860 H 1 UNL1111111111 0.1375 63 H -6.6931 1.1674 0.4690 H 1 UNL1111111111 0.1355 64 H -7.3329 -0.4477 0.1541 H 1 UNL1111111111 0.1328 65 H 7.9487 -0.5361 -1.6326 H 1 UNL1111111111 0.3070 66 H -8.1537 1.1504 -1.5141 H 1 UNL1111111111 0.1242 67 H -6.1057 -0.7397 -2.8481 H 1 UNL1111111111 0.1446 68 H -7.5724 -0.0827 -3.5769 H 1 UNL1111111111 0.1405 69 H -7.6890 -1.2364 -2.2420 H 1 UNL1111111111 0.1411 70 H -5.2187 1.6011 -2.3706 H 1 UNL1111111111 0.1458 71 H -6.6557 2.3311 -3.0886 H 1 UNL1111111111 0.1398 72 H -6.1851 2.7476 -1.4357 H 1 UNL1111111111 0.1431 @BOND 1 1 16 2 2 2 24 1 3 2 65 1 4 3 16 am 5 3 17 1 6 3 51 1 7 4 5 1 8 4 6 1 9 4 9 1 10 4 15 1 11 5 7 1 12 5 10 1 13 5 30 1 14 6 11 1 15 6 14 1 16 6 31 1 17 7 8 1 18 7 16 1 19 7 32 1 20 8 12 1 21 8 13 1 22 8 33 1 23 9 12 1 24 9 34 1 25 9 35 1 26 10 11 1 27 10 36 1 28 10 37 1 29 11 38 1 30 11 39 1 31 12 40 1 32 12 41 1 33 13 17 1 34 13 18 1 35 13 19 1 36 14 20 1 37 14 21 1 38 14 42 1 39 15 43 1 40 15 44 1 41 15 45 1 42 17 23 2 43 18 22 1 44 18 46 1 45 18 47 1 46 19 48 1 47 19 49 1 48 19 50 1 49 20 25 1 50 20 52 1 51 20 53 1 52 21 54 1 53 21 55 1 54 21 56 1 55 22 24 1 56 22 57 1 57 22 58 1 58 23 24 1 59 23 59 1 60 24 60 1 61 25 26 1 62 25 61 1 63 25 62 1 64 26 27 1 65 26 63 1 66 26 64 1 67 27 28 1 68 27 29 1 69 27 66 1 70 28 67 1 71 28 68 1 72 28 69 1 73 29 70 1 74 29 71 1 75 29 72 1