@MOLECULE 1-[(1r,2r,3as,3bs,10ar,10bs,11s,12as)-1,11-dihydroxy-2,5,10a,12a-tetramethyl-7-phenyl-1,2,3,3a,3b,7,10,10a,10b,11,12,12a-dodecahydrocyclopenta[5,6]naphtho[1,2-f]indazol-1-yl]-2-hydroxyethanone 72 77 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 2.5547 -1.1188 0.0485 C.3 1 UNL1 -0.1396 2 C 1.2079 -0.8240 0.7126 C.3 1 UNL1 -0.1205 3 C 0.5630 0.3397 -0.0777 C.3 1 UNL1 -0.2016 4 C 3.5125 0.0950 0.1985 C.3 1 UNL1 0.0367 5 C -0.8744 0.6109 0.4414 C.3 1 UNL1 0.0851 6 C 4.8104 -0.5130 -0.4297 C.3 1 UNL1 0.1492 7 C 1.4681 1.5919 -0.1344 C.3 1 UNL1 0.1671 8 C 4.8386 -1.9854 0.0833 C.3 1 UNL1 -0.1316 9 C -3.8780 2.8827 -0.4556 C.ar 1 UNL1 -0.0776 10 C -7.2677 0.5591 0.4011 C.ar 1 UNL1 -0.1578 11 C -6.0984 -1.0542 -1.0051 C.ar 1 UNL1 -0.1983 12 C -8.3734 -0.2847 0.4320 C.ar 1 UNL1 -0.1226 13 C -7.2121 -1.8871 -0.9557 C.ar 1 UNL1 -0.1191 14 C -8.3451 -1.5075 -0.2374 C.ar 1 UNL1 -0.1606 15 C 6.5712 1.2535 -1.1089 C.3 1 UNL1 -0.0887 16 C 3.8145 0.4665 1.6531 C.3 1 UNL1 -0.4636 17 C -0.9461 0.9140 1.9470 C.3 1 UNL1 -0.4612 18 C 5.3337 -2.9532 -0.9824 C.3 1 UNL1 -0.4459 19 C -1.8386 -3.1841 0.4970 C.3 1 UNL1 -0.4467 20 H 4.0915 -1.0625 -2.1965 H 1 UNL1 0.3349 21 H 1.7689 1.7759 1.8188 H 1 UNL1 0.3171 22 H 7.9607 1.7150 0.2255 H 1 UNL1 0.3330 23 C -6.1277 0.1609 -0.3088 C.ar 1 UNL1 0.1720 24 O 6.6511 0.1000 0.9610 O.2 1 UNL1 -0.4556 25 C 2.9227 1.2810 -0.5573 C.3 1 UNL1 -0.3585 26 C 3.3906 -2.3063 0.5451 C.3 1 UNL1 -0.2985 27 C -1.4405 1.8408 -0.3314 C.3 1 UNL1 -0.2699 28 O 4.7525 -0.4355 -1.8351 O.3 1 UNL1 -0.5684 29 O 1.4661 2.3226 1.0641 O.3 1 UNL1 -0.5588 30 O 7.5673 2.1035 -0.5909 O.3 1 UNL1 -0.5302 31 C 6.0714 0.2667 -0.0843 C.2 1 UNL1 0.4072 32 C -1.0111 -1.9379 0.4803 C.2 1 UNL1 0.0077 33 C -2.9101 1.8487 -0.3325 C.ar 1 UNL1 -0.1215 34 C -3.6405 0.6530 -0.2475 C.ar 1 UNL1 0.0345 35 C 0.3128 -2.0174 0.6904 C.2 1 UNL1 -0.1975 36 C -3.0163 -0.6227 -0.0466 C.2 1 UNL1 -0.2046 37 N -5.1262 2.3508 -0.4447 N.ar 1 UNL1 -0.2429 38 C -1.6970 -0.6638 0.2443 C.2 1 UNL1 0.0129 39 N -4.9845 1.0012 -0.3300 N.ar 1 UNL1 -0.1130 40 H 2.3520 -1.2844 -1.0419 H 1 UNL1 0.1364 41 H 1.3611 -0.5253 1.7803 H 1 UNL1 0.1561 42 H 0.4499 -0.0066 -1.1410 H 1 UNL1 0.1518 43 H 1.0404 2.3449 -0.8436 H 1 UNL1 0.1406 44 H 3.5335 2.1916 -0.3908 H 1 UNL1 0.1654 45 H 2.9574 1.1008 -1.6490 H 1 UNL1 0.1593 46 H 3.3392 -2.4045 1.6417 H 1 UNL1 0.1481 47 H 3.0320 -3.2628 0.1374 H 1 UNL1 0.1435 48 H 5.5238 -2.0381 0.9653 H 1 UNL1 0.1652 49 H 0.8040 -2.9692 0.8776 H 1 UNL1 0.1495 50 H -1.0294 2.7700 0.1217 H 1 UNL1 0.1735 51 H -1.0823 1.8293 -1.3847 H 1 UNL1 0.1516 52 H 4.4345 -0.2891 2.1556 H 1 UNL1 0.1662 53 H 4.3638 1.4158 1.7174 H 1 UNL1 0.1626 54 H 2.9060 0.5722 2.2572 H 1 UNL1 0.1439 55 H -3.6337 -1.5135 -0.1236 H 1 UNL1 0.1642 56 H -0.3887 1.8226 2.2034 H 1 UNL1 0.1671 57 H -1.9886 1.0872 2.2498 H 1 UNL1 0.1599 58 H -0.5643 0.0882 2.5534 H 1 UNL1 0.1448 59 H 6.2797 -2.6107 -1.4234 H 1 UNL1 0.1578 60 H 5.5143 -3.9484 -0.5568 H 1 UNL1 0.1504 61 H 4.6184 -3.0787 -1.8024 H 1 UNL1 0.1410 62 H -2.3106 -3.3628 -0.4800 H 1 UNL1 0.1583 63 H -1.2493 -4.0795 0.7340 H 1 UNL1 0.1491 64 H -2.6377 -3.1224 1.2512 H 1 UNL1 0.1622 65 H 5.7702 1.9327 -1.4652 H 1 UNL1 0.1703 66 H 6.9999 0.7253 -1.9872 H 1 UNL1 0.1651 67 H -3.7198 3.9409 -0.5452 H 1 UNL1 0.1832 68 H -7.2823 1.5241 0.9115 H 1 UNL1 0.1834 69 H -5.2265 -1.3342 -1.5937 H 1 UNL1 0.1687 70 H -9.2647 0.0143 0.9827 H 1 UNL1 0.1552 71 H -7.1989 -2.8369 -1.4887 H 1 UNL1 0.1526 72 H -9.2117 -2.1643 -0.2044 H 1 UNL1 0.1506 @BOND 1 20 28 1 2 66 15 1 3 28 6 1 4 61 18 1 5 45 25 1 6 69 11 1 7 71 13 1 8 65 15 1 9 59 18 1 10 51 27 1 11 42 3 1 12 15 30 1 13 15 31 1 14 40 1 1 15 11 13 ar 16 11 23 ar 17 18 60 1 18 18 8 1 19 13 14 ar 20 43 7 1 21 30 22 1 22 25 44 1 23 25 7 1 24 25 4 1 25 67 9 1 26 62 19 1 27 9 37 ar 28 9 33 ar 29 37 39 ar 30 6 31 1 31 6 8 1 32 6 4 1 33 33 27 1 34 33 34 ar 35 27 50 1 36 27 5 1 37 39 23 1 38 39 34 ar 39 23 10 ar 40 34 36 1 41 14 72 1 42 14 12 ar 43 7 3 1 44 7 29 1 45 55 36 1 46 31 24 2 47 3 5 1 48 3 2 1 49 36 38 2 50 1 4 1 51 1 26 1 52 1 2 1 53 8 26 1 54 8 48 1 55 47 26 1 56 4 16 1 57 38 5 1 58 38 32 1 59 10 12 ar 60 10 68 1 61 12 70 1 62 5 17 1 63 32 19 1 64 32 35 2 65 19 63 1 66 19 64 1 67 26 46 1 68 35 2 1 69 35 49 1 70 2 41 1 71 29 21 1 72 16 53 1 73 16 52 1 74 16 54 1 75 17 56 1 76 17 57 1 77 17 58 1