@MOLECULE (1r,2s,3as,3br,5ar,6r,10ar,10bs,12as)-1,10a,12a-trimethyl-1,2,3,3a,3b,4,5,5a,6,7,10,10a,10b,11,12,12a-hexadecahydrocyclopenta[5,6]naphtho[1,2-f]indazole-1,2,6-triol 58 62 0 0 0 SMALL GASTEIGER @ATOM 1 O 5.2697 1.2602 0.4318 O.3 1 UNL1111111111 -0.5828 2 O 5.4857 -1.2963 0.4976 O.3 1 UNL1111111111 -0.5653 3 O -3.6614 -2.0971 0.8849 O.3 1 UNL1111111111 -0.5396 4 N -5.7237 0.0222 -0.3456 N.ar 1 UNL1111111111 -0.1962 5 N -6.0798 1.3252 -0.2597 N.ar 1 UNL1111111111 -0.2300 6 C 2.2180 -0.5315 -0.4805 C.3 1 UNL1111111111 -0.1417 7 C 2.8581 0.6810 0.2563 C.3 1 UNL1111111111 0.0046 8 C 0.8144 -0.8496 0.0565 C.3 1 UNL1111111111 -0.1062 9 C -0.0632 0.4087 -0.1886 C.3 1 UNL1111111111 -0.1339 10 C -1.5431 0.1773 0.2431 C.3 1 UNL1111111111 0.0820 11 C 4.2773 0.6866 -0.3936 C.3 1 UNL1111111111 0.2317 12 C 1.9828 1.9106 0.0082 C.3 1 UNL1111111111 -0.2932 13 C 0.5531 1.6371 0.5068 C.3 1 UNL1111111111 -0.2734 14 C -2.0668 -1.0483 -0.5655 C.3 1 UNL1111111111 -0.1403 15 C 3.3017 -1.6163 -0.3957 C.3 1 UNL1111111111 -0.3280 16 C 0.2302 -2.0598 -0.6881 C.3 1 UNL1111111111 -0.2851 17 C 4.6378 -0.8436 -0.5298 C.3 1 UNL1111111111 0.1301 18 C -1.2252 -2.2976 -0.2790 C.3 1 UNL1111111111 -0.2658 19 C -2.3627 1.4441 -0.1520 C.3 1 UNL1111111111 -0.2918 20 C 3.0215 0.4516 1.7645 C.3 1 UNL1111111111 -0.4584 21 C -3.5657 -1.3824 -0.3354 C.3 1 UNL1111111111 0.1454 22 C -1.6812 -0.0418 1.7494 C.3 1 UNL1111111111 -0.4556 23 C 4.3674 1.3966 -1.7419 C.3 1 UNL1111111111 -0.4951 24 C -3.8077 1.1646 -0.1896 C.ar 1 UNL1111111111 -0.0817 25 C -4.3459 -0.1226 -0.3001 C.ar 1 UNL1111111111 -0.0772 26 C -4.9311 2.0440 -0.1616 C.ar 1 UNL1111111111 -0.0980 27 H 2.0985 -0.2592 -1.5609 H 1 UNL1111111111 0.1353 28 H 0.8557 -1.0751 1.1457 H 1 UNL1111111111 0.1453 29 H -0.0707 0.6057 -1.2885 H 1 UNL1111111111 0.1330 30 H 1.9579 2.1598 -1.0687 H 1 UNL1111111111 0.1404 31 H 2.3976 2.7996 0.5171 H 1 UNL1111111111 0.1333 32 H 0.5525 1.4932 1.6032 H 1 UNL1111111111 0.1462 33 H -0.0673 2.5331 0.3206 H 1 UNL1111111111 0.1347 34 H -1.9700 -0.7915 -1.6516 H 1 UNL1111111111 0.1409 35 H 3.2754 -2.1557 0.5685 H 1 UNL1111111111 0.1704 36 H 3.1937 -2.3809 -1.1773 H 1 UNL1111111111 0.1422 37 H 0.8351 -2.9597 -0.4679 H 1 UNL1111111111 0.1396 38 H 0.2975 -1.9090 -1.7814 H 1 UNL1111111111 0.1348 39 H 5.1679 -1.0588 -1.4758 H 1 UNL1111111111 0.1261 40 H -1.6377 -3.1703 -0.8176 H 1 UNL1111111111 0.1368 41 H -1.2923 -2.5624 0.7991 H 1 UNL1111111111 0.1630 42 H -2.0358 1.8120 -1.1470 H 1 UNL1111111111 0.1541 43 H -2.1469 2.2662 0.5586 H 1 UNL1111111111 0.1582 44 H 3.3676 1.3529 2.2787 H 1 UNL1111111111 0.1357 45 H 2.0763 0.1534 2.2330 H 1 UNL1111111111 0.1548 46 H 3.7452 -0.3501 1.9739 H 1 UNL1111111111 0.1703 47 H -3.9300 -2.0848 -1.1237 H 1 UNL1111111111 0.1270 48 H -1.3686 0.8355 2.3220 H 1 UNL1111111111 0.1395 49 H -2.7250 -0.2547 2.0214 H 1 UNL1111111111 0.1635 50 H -1.0887 -0.9008 2.0933 H 1 UNL1111111111 0.1536 51 H 5.3899 1.3292 -2.1406 H 1 UNL1111111111 0.1663 52 H 3.6876 0.9668 -2.4840 H 1 UNL1111111111 0.1532 53 H 4.1414 2.4647 -1.6477 H 1 UNL1111111111 0.1548 54 H 4.9024 1.9766 0.9843 H 1 UNL1111111111 0.3314 55 H 5.9235 -0.5300 0.9324 H 1 UNL1111111111 0.3424 56 H -4.5541 -2.0122 1.2657 H 1 UNL1111111111 0.3097 57 H -4.9378 3.1134 -0.0730 H 1 UNL1111111111 0.1828 58 H -6.4330 -0.6701 -0.4559 H 1 UNL1111111111 0.3264 @BOND 1 1 11 1 2 1 54 1 3 2 17 1 4 2 55 1 5 3 21 1 6 3 56 1 7 4 5 ar 8 4 25 ar 9 4 58 1 10 5 26 ar 11 6 7 1 12 6 8 1 13 6 15 1 14 6 27 1 15 7 11 1 16 7 12 1 17 7 20 1 18 8 9 1 19 8 16 1 20 8 28 1 21 9 10 1 22 9 13 1 23 9 29 1 24 10 14 1 25 10 19 1 26 10 22 1 27 11 17 1 28 11 23 1 29 12 13 1 30 12 30 1 31 12 31 1 32 13 32 1 33 13 33 1 34 14 18 1 35 14 21 1 36 14 34 1 37 15 17 1 38 15 35 1 39 15 36 1 40 16 18 1 41 16 37 1 42 16 38 1 43 17 39 1 44 18 40 1 45 18 41 1 46 19 24 1 47 19 42 1 48 19 43 1 49 20 44 1 50 20 45 1 51 20 46 1 52 21 25 1 53 21 47 1 54 22 48 1 55 22 49 1 56 22 50 1 57 23 51 1 58 23 52 1 59 23 53 1 60 24 25 ar 61 24 26 ar 62 26 57 1