@MOLECULE (1r,3as,3bs,5ar,6s,10as,11as,13ar)-3a,6,13a-trimethyl-1-[(2r)-6-methyl-4-oxo-5-hepten-2-yl]-9-oxotetradecahydro-1h-cyclopenta[5,6]cyclopropa[1,8a]naphtho[1,2-d]oxepine-6-carboxylic acid 79 83 0 0 0 SMALL GASTEIGER @ATOM 1 O -5.6216 2.2329 0.1198 O.3 1 UNL1111 -0.3958 2 O -4.1082 3.7902 0.0369 O.2 1 UNL1111 -0.4589 3 O -6.6975 -1.5601 -0.7944 O.3 1 UNL1111 -0.5844 4 O -6.4014 -2.2191 1.3105 O.2 1 UNL1111 -0.4886 5 O 6.3732 0.0367 1.5345 O.2 1 UNL1111 -0.4968 6 C -1.4668 0.3914 -0.2167 C.3 1 UNL1111 0.0248 7 C -2.9972 0.6502 -0.2627 C.3 1 UNL1111 -0.0307 8 C -0.9783 -1.0341 0.0501 C.3 1 UNL1111 -0.1267 9 C -2.1791 1.0589 0.9446 C.3 1 UNL1111 -0.3677 10 C 0.4056 -1.2971 -0.5649 C.3 1 UNL1111 0.0514 11 C -3.9698 -0.5183 -0.2327 C.3 1 UNL1111 -0.1061 12 C 1.3531 -0.1061 -0.1829 C.3 1 UNL1111 0.0648 13 C -0.6070 1.2587 -1.1194 C.3 1 UNL1111 -0.2732 14 C -2.0198 -2.0740 -0.3835 C.3 1 UNL1111 -0.2782 15 C 0.9244 1.1361 -0.9664 C.3 1 UNL1111 -0.2858 16 C -3.3354 -1.7938 0.3452 C.3 1 UNL1111 -0.2866 17 C -3.5350 1.7716 -1.1345 C.3 1 UNL1111 -0.3922 18 C 2.7497 -0.6893 -0.5534 C.3 1 UNL1111 -0.1436 19 C 1.1481 -2.5147 0.0366 C.3 1 UNL1111 -0.2963 20 C -5.2951 -0.1700 0.5013 C.3 1 UNL1111 -0.0413 21 C 2.6480 -2.1732 -0.0977 C.3 1 UNL1111 -0.2759 22 C 0.3076 -1.5219 -2.0843 C.3 1 UNL1111 -0.4616 23 C 1.3065 0.2231 1.3191 C.3 1 UNL1111 -0.4646 24 C 3.9804 0.0069 0.0539 C.3 1 UNL1111 -0.0686 25 C -4.4023 2.6742 -0.3037 C.2 1 UNL1111 0.6058 26 C -6.0715 0.9434 -0.2371 C.3 1 UNL1111 -0.0326 27 C -5.1127 0.2135 1.9650 C.3 1 UNL1111 -0.4428 28 C -6.1624 -1.4175 0.4508 C.2 1 UNL1111 0.6159 29 C 5.2632 -0.7056 -0.4255 C.3 1 UNL1111 -0.3999 30 C 4.0549 1.4825 -0.3562 C.3 1 UNL1111 -0.4554 31 C 6.4655 -0.2214 0.3541 C.2 1 UNL1111 0.5047 32 C 7.7254 -0.1071 -0.3861 C.2 1 UNL1111 -0.4370 33 C 8.8381 0.4485 0.1310 C.2 1 UNL1111 0.2186 34 C 10.0915 0.5440 -0.6737 C.3 1 UNL1111 -0.4830 35 C 8.9112 1.0017 1.5074 C.3 1 UNL1111 -0.4808 36 H -0.8611 -1.1428 1.1642 H 1 UNL1111 0.1497 37 H -2.0197 2.1164 1.1469 H 1 UNL1111 0.1720 38 H -2.2946 0.5244 1.8833 H 1 UNL1111 0.1645 39 H -4.2372 -0.7514 -1.3026 H 1 UNL1111 0.1538 40 H -0.8676 2.3286 -0.9678 H 1 UNL1111 0.1454 41 H -0.8773 1.0286 -2.1722 H 1 UNL1111 0.1397 42 H -1.6555 -3.0915 -0.1506 H 1 UNL1111 0.1406 43 H -2.1740 -2.0481 -1.4775 H 1 UNL1111 0.1455 44 H 1.3888 1.1310 -1.9700 H 1 UNL1111 0.1354 45 H 1.3122 2.0464 -0.4689 H 1 UNL1111 0.1441 46 H -4.0189 -2.6568 0.2312 H 1 UNL1111 0.1445 47 H -3.1631 -1.6950 1.4333 H 1 UNL1111 0.1521 48 H -4.0824 1.3755 -2.0132 H 1 UNL1111 0.1734 49 H -2.7187 2.3840 -1.5782 H 1 UNL1111 0.1853 50 H 2.8573 -0.6554 -1.6625 H 1 UNL1111 0.1316 51 H 0.8960 -3.4506 -0.4813 H 1 UNL1111 0.1344 52 H 0.8722 -2.6690 1.0918 H 1 UNL1111 0.1377 53 H 3.1624 -2.3242 0.8656 H 1 UNL1111 0.1416 54 H 3.1380 -2.8350 -0.8267 H 1 UNL1111 0.1281 55 H -0.3096 -0.7652 -2.5764 H 1 UNL1111 0.1473 56 H -0.1372 -2.4976 -2.3093 H 1 UNL1111 0.1417 57 H 1.2938 -1.5038 -2.5597 H 1 UNL1111 0.1465 58 H 1.4965 -0.6601 1.9359 H 1 UNL1111 0.1475 59 H 0.3383 0.6428 1.6135 H 1 UNL1111 0.1532 60 H 2.0622 0.9723 1.5833 H 1 UNL1111 0.1517 61 H 3.9381 -0.0596 1.1704 H 1 UNL1111 0.1606 62 H -6.0557 0.8124 -1.3330 H 1 UNL1111 0.1407 63 H -7.1289 0.9912 0.1016 H 1 UNL1111 0.1599 64 H -4.5505 1.1541 2.0635 H 1 UNL1111 0.1753 65 H -4.5800 -0.5609 2.5312 H 1 UNL1111 0.1608 66 H -6.0770 0.3710 2.4672 H 1 UNL1111 0.1608 67 H 5.3955 -0.5559 -1.5118 H 1 UNL1111 0.1565 68 H 5.1809 -1.8013 -0.2763 H 1 UNL1111 0.1678 69 H 3.2511 2.0670 0.1049 H 1 UNL1111 0.1482 70 H 3.9829 1.6078 -1.4404 H 1 UNL1111 0.1400 71 H 4.9994 1.9335 -0.0283 H 1 UNL1111 0.1488 72 H -7.2688 -2.3583 -0.8971 H 1 UNL1111 0.3581 73 H 7.7152 -0.5002 -1.3991 H 1 UNL1111 0.1656 74 H 10.3721 1.5949 -0.8446 H 1 UNL1111 0.1675 75 H 8.1099 1.7413 1.6887 H 1 UNL1111 0.1854 76 H 9.8681 1.4762 1.7471 H 1 UNL1111 0.1506 77 H 8.7245 0.2116 2.2592 H 1 UNL1111 0.1888 78 H 10.0092 0.0682 -1.6603 H 1 UNL1111 0.1592 79 H 10.9354 0.0650 -0.1542 H 1 UNL1111 0.1669 @BOND 1 1 25 1 2 1 26 1 3 2 25 2 4 3 28 1 5 3 72 1 6 4 28 2 7 5 31 2 8 6 7 1 9 6 8 1 10 6 9 1 11 6 13 1 12 7 9 1 13 7 11 1 14 7 17 1 15 8 10 1 16 8 14 1 17 8 36 1 18 9 37 1 19 9 38 1 20 10 12 1 21 10 19 1 22 10 22 1 23 11 16 1 24 11 20 1 25 11 39 1 26 12 15 1 27 12 18 1 28 12 23 1 29 13 15 1 30 13 40 1 31 13 41 1 32 14 16 1 33 14 42 1 34 14 43 1 35 15 44 1 36 15 45 1 37 16 46 1 38 16 47 1 39 17 25 1 40 17 48 1 41 17 49 1 42 18 21 1 43 18 24 1 44 18 50 1 45 19 21 1 46 19 51 1 47 19 52 1 48 20 26 1 49 20 27 1 50 20 28 1 51 21 53 1 52 21 54 1 53 22 55 1 54 22 56 1 55 22 57 1 56 23 58 1 57 23 59 1 58 23 60 1 59 24 29 1 60 24 30 1 61 24 61 1 62 26 62 1 63 26 63 1 64 27 64 1 65 27 65 1 66 27 66 1 67 29 31 1 68 29 67 1 69 29 68 1 70 30 69 1 71 30 70 1 72 30 71 1 73 31 32 1 74 32 33 2 75 32 73 1 76 33 34 1 77 33 35 1 78 34 74 1 79 34 78 1 80 34 79 1 81 35 75 1 82 35 76 1 83 35 77 1