@MOLECULE (1r,3ar,5as,7s,9as,11ar)-7-hydroxy-9a,11a-dimethyl-1-[(2r)-6-methyl-5-methylene-2-heptanyl]-2,3,3a,5a,6,7,8,9,9a,10,11,11a-dodecahydrobenzo[c]cyclopenta[h]chromen-5(1h)-one 72 75 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.3533 -1.8361 0.1003 O.3 1 UNL1111111111 -0.3806 2 O 7.9522 0.4937 0.2613 O.3 1 UNL1111111111 -0.5667 3 O 4.2149 -2.8907 -0.3577 O.2 1 UNL1111111111 -0.4184 4 C -0.5265 0.3205 -0.0514 C.3 1 UNL1111111111 0.0871 5 C 0.2998 -0.8032 0.6619 C.3 1 UNL1111111111 -0.1580 6 C -1.9674 -0.1004 0.3582 C.3 1 UNL1111111111 -0.1446 7 C -0.0069 1.6466 0.5202 C.3 1 UNL1111111111 -0.3037 8 C -0.4405 -2.0916 0.3072 C.3 1 UNL1111111111 -0.2594 9 C -1.9250 -1.6586 0.2743 C.3 1 UNL1111111111 -0.2786 10 C 3.7615 0.6330 -0.2273 C.3 1 UNL1111111111 0.1067 11 C 2.3051 0.5666 0.1542 C.2 1 UNL1111111111 -0.2161 12 C 1.7241 -0.6384 0.2924 C.2 1 UNL1111111111 0.2080 13 C 1.5116 1.8299 0.2717 C.3 1 UNL1111111111 -0.2366 14 C -3.1164 0.4811 -0.4867 C.3 1 UNL1111111111 -0.0884 15 C -0.3569 0.2965 -1.5733 C.3 1 UNL1111111111 -0.4593 16 C 4.4402 -0.6000 0.4361 C.3 1 UNL1111111111 -0.2392 17 C 4.4591 1.8998 0.3092 C.3 1 UNL1111111111 -0.2765 18 C 5.9349 -0.6680 0.1409 C.3 1 UNL1111111111 -0.2899 19 C -4.4685 -0.0389 0.0468 C.3 1 UNL1111111111 -0.2805 20 C 3.8452 0.5764 -1.7603 C.3 1 UNL1111111111 -0.4612 21 C 5.9719 1.8715 0.0682 C.3 1 UNL1111111111 -0.3360 22 C 3.7372 -1.8544 0.0049 C.2 1 UNL1111111111 0.5811 23 C 6.6002 0.6078 0.6750 C.3 1 UNL1111111111 0.1694 24 C -3.1169 2.0147 -0.4448 C.3 1 UNL1111111111 -0.4542 25 C -5.5804 0.1057 -1.0040 C.3 1 UNL1111111111 -0.2989 26 C -6.8865 -0.3564 -0.4273 C.2 1 UNL1111111111 0.0419 27 C -7.5569 0.6083 0.5205 C.3 1 UNL1111111111 -0.0895 28 C -7.4047 -1.5460 -0.7405 C.2 1 UNL1111111111 -0.3793 29 C -7.7615 -0.0444 1.8941 C.3 1 UNL1111111111 -0.4442 30 C -8.8969 1.0711 -0.0667 C.3 1 UNL1111111111 -0.4446 31 H 0.2260 -0.6555 1.7741 H 1 UNL1111111111 0.1580 32 H -2.1318 0.2003 1.4176 H 1 UNL1111111111 0.1333 33 H -0.5499 2.5004 0.0779 H 1 UNL1111111111 0.1421 34 H -0.2133 1.6936 1.6050 H 1 UNL1111111111 0.1376 35 H -0.1094 -2.4908 -0.6669 H 1 UNL1111111111 0.1533 36 H -0.2546 -2.8921 1.0390 H 1 UNL1111111111 0.1436 37 H -2.4818 -2.1025 1.1132 H 1 UNL1111111111 0.1341 38 H -2.4078 -2.0158 -0.6488 H 1 UNL1111111111 0.1414 39 H 1.6496 2.4190 -0.6613 H 1 UNL1111111111 0.1449 40 H 1.9238 2.4562 1.0900 H 1 UNL1111111111 0.1409 41 H -2.9943 0.1471 -1.5443 H 1 UNL1111111111 0.1395 42 H -0.7372 -0.6363 -2.0052 H 1 UNL1111111111 0.1530 43 H 0.6971 0.3777 -1.8655 H 1 UNL1111111111 0.1555 44 H -0.8894 1.1266 -2.0476 H 1 UNL1111111111 0.1428 45 H 4.2991 -0.5086 1.5495 H 1 UNL1111111111 0.1766 46 H 4.2517 2.0073 1.3912 H 1 UNL1111111111 0.1416 47 H 4.0269 2.7969 -0.1733 H 1 UNL1111111111 0.1432 48 H 6.1368 -0.7802 -0.9430 H 1 UNL1111111111 0.1720 49 H 6.3960 -1.5644 0.6033 H 1 UNL1111111111 0.1686 50 H -4.3926 -1.1033 0.3388 H 1 UNL1111111111 0.1455 51 H -4.7417 0.5011 0.9719 H 1 UNL1111111111 0.1403 52 H 4.8819 0.5752 -2.1148 H 1 UNL1111111111 0.1569 53 H 3.3417 1.4383 -2.2120 H 1 UNL1111111111 0.1494 54 H 3.3617 -0.3255 -2.1562 H 1 UNL1111111111 0.1568 55 H 6.4396 2.7762 0.4947 H 1 UNL1111111111 0.1339 56 H 6.1923 1.9053 -1.0171 H 1 UNL1111111111 0.1596 57 H 6.5862 0.6406 1.7866 H 1 UNL1111111111 0.1108 58 H -2.2655 2.4316 -0.9932 H 1 UNL1111111111 0.1428 59 H -4.0239 2.4254 -0.9023 H 1 UNL1111111111 0.1435 60 H -3.0711 2.3881 0.5834 H 1 UNL1111111111 0.1427 61 H -5.6604 1.1563 -1.3467 H 1 UNL1111111111 0.1461 62 H -5.3174 -0.4760 -1.9100 H 1 UNL1111111111 0.1476 63 H 8.4583 1.2929 0.4903 H 1 UNL1111111111 0.3126 64 H -6.9086 1.5109 0.6604 H 1 UNL1111111111 0.1362 65 H -8.3367 -1.9139 -0.3455 H 1 UNL1111111111 0.1462 66 H -6.9369 -2.2431 -1.4149 H 1 UNL1111111111 0.1466 67 H -6.8115 -0.4042 2.3048 H 1 UNL1111111111 0.1444 68 H -8.1906 0.6646 2.6094 H 1 UNL1111111111 0.1417 69 H -8.4380 -0.9041 1.8336 H 1 UNL1111111111 0.1486 70 H -9.5893 0.2315 -0.1950 H 1 UNL1111111111 0.1489 71 H -8.7582 1.5338 -1.0500 H 1 UNL1111111111 0.1442 72 H -9.3826 1.8050 0.5844 H 1 UNL1111111111 0.1424 @BOND 1 1 12 1 2 1 22 1 3 2 23 1 4 2 63 1 5 3 22 2 6 4 5 1 7 4 6 1 8 4 7 1 9 4 15 1 10 5 8 1 11 5 12 1 12 5 31 1 13 6 9 1 14 6 14 1 15 6 32 1 16 7 13 1 17 7 33 1 18 7 34 1 19 8 9 1 20 8 35 1 21 8 36 1 22 9 37 1 23 9 38 1 24 10 11 1 25 10 16 1 26 10 17 1 27 10 20 1 28 11 12 2 29 11 13 1 30 13 39 1 31 13 40 1 32 14 19 1 33 14 24 1 34 14 41 1 35 15 42 1 36 15 43 1 37 15 44 1 38 16 18 1 39 16 22 1 40 16 45 1 41 17 21 1 42 17 46 1 43 17 47 1 44 18 23 1 45 18 48 1 46 18 49 1 47 19 25 1 48 19 50 1 49 19 51 1 50 20 52 1 51 20 53 1 52 20 54 1 53 21 23 1 54 21 55 1 55 21 56 1 56 23 57 1 57 24 58 1 58 24 59 1 59 24 60 1 60 25 26 1 61 25 61 1 62 25 62 1 63 26 27 1 64 26 28 2 65 27 29 1 66 27 30 1 67 27 64 1 68 28 65 1 69 28 66 1 70 29 67 1 71 29 68 1 72 29 69 1 73 30 70 1 74 30 71 1 75 30 72 1