@MOLECULE (7r,8r,10r,13s,14s,17r)-10,13-dimethyl-7-sulfanyl-1,6,7,8,9,10,11,12,13,14,15,16-dodecahydro-3'h-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-3,5'(2h,4'h)-dione 56 60 0 0 0 SMALL GASTEIGER @ATOM 1 S -1.4880 -2.6824 -0.5634 S.3 1 UNL1111111111 -0.2185 2 O 4.0744 -0.5140 0.4134 O.3 1 UNL1111111111 -0.4132 3 O 6.2036 -0.6581 1.0289 O.2 1 UNL1111111111 -0.4536 4 O -6.2926 -0.0312 -0.9553 O.2 1 UNL1111111111 -0.4532 5 C 1.9877 0.6427 0.1910 C.3 1 UNL1111111111 0.0388 6 C 1.1596 -0.6718 0.2987 C.3 1 UNL1111111111 -0.1288 7 C -0.2845 -0.4048 0.7519 C.3 1 UNL1111111111 -0.1393 8 C 3.2582 0.1545 -0.5686 C.3 1 UNL1111111111 0.2438 9 C -1.0074 0.6296 -0.1280 C.3 1 UNL1111111111 -0.1285 10 C 1.2412 1.6747 -0.6741 C.3 1 UNL1111111111 -0.2906 11 C 1.3693 -1.3486 -1.0703 C.3 1 UNL1111111111 -0.2647 12 C -2.4618 0.9256 0.3616 C.3 1 UNL1111111111 0.0302 13 C -0.1780 1.9264 -0.1590 C.3 1 UNL1111111111 -0.2758 14 C 2.7827 -0.9447 -1.5340 C.3 1 UNL1111111111 -0.3264 15 C -1.1106 -1.6859 0.9445 C.3 1 UNL1111111111 -0.1346 16 C 2.3482 1.2191 1.5546 C.3 1 UNL1111111111 -0.4600 17 C 4.1504 1.2400 -1.2044 C.3 1 UNL1111111111 -0.3258 18 C -3.1848 -0.3490 0.7400 C.2 1 UNL1111111111 0.0878 19 C -2.4327 -1.3053 1.6139 C.3 1 UNL1111111111 -0.3226 20 C -3.1903 1.6426 -0.8031 C.3 1 UNL1111111111 -0.2782 21 C -2.4899 1.8168 1.6171 C.3 1 UNL1111111111 -0.4512 22 C 5.5724 0.8986 -0.7530 C.3 1 UNL1111111111 -0.3766 23 C 5.3865 -0.1506 0.3138 C.2 1 UNL1111111111 0.5997 24 C -4.7031 1.6989 -0.6084 C.3 1 UNL1111111111 -0.3798 25 C -4.4432 -0.6192 0.3676 C.2 1 UNL1111111111 -0.3630 26 C -5.2478 0.3007 -0.4502 C.2 1 UNL1111111111 0.4866 27 H 1.6434 -1.3182 1.0763 H 1 UNL1111111111 0.1538 28 H -0.1910 0.0550 1.7791 H 1 UNL1111111111 0.1487 29 H -1.0647 0.2308 -1.1695 H 1 UNL1111111111 0.1462 30 H 1.1972 1.3245 -1.7237 H 1 UNL1111111111 0.1454 31 H 1.7958 2.6316 -0.6931 H 1 UNL1111111111 0.1358 32 H 0.6143 -1.0203 -1.8025 H 1 UNL1111111111 0.1447 33 H 1.2852 -2.4454 -0.9955 H 1 UNL1111111111 0.1561 34 H -0.1255 2.3750 0.8510 H 1 UNL1111111111 0.1449 35 H -0.6733 2.6788 -0.8006 H 1 UNL1111111111 0.1362 36 H 2.7769 -0.6028 -2.5791 H 1 UNL1111111111 0.1426 37 H 3.4715 -1.8091 -1.4951 H 1 UNL1111111111 0.1642 38 H -0.5360 -2.3934 1.5923 H 1 UNL1111111111 0.1672 39 H 3.0191 2.0804 1.4654 H 1 UNL1111111111 0.1452 40 H 1.4592 1.5471 2.1033 H 1 UNL1111111111 0.1462 41 H 2.8628 0.4749 2.1808 H 1 UNL1111111111 0.1692 42 H 4.0542 1.2577 -2.3012 H 1 UNL1111111111 0.1562 43 H 3.8588 2.2478 -0.8592 H 1 UNL1111111111 0.1566 44 H -2.2429 -0.8348 2.6047 H 1 UNL1111111111 0.1654 45 H -3.0351 -2.2081 1.8543 H 1 UNL1111111111 0.1713 46 H -2.9661 1.1257 -1.7582 H 1 UNL1111111111 0.1462 47 H -2.7903 2.6678 -0.9195 H 1 UNL1111111111 0.1473 48 H -3.4936 1.8461 2.0599 H 1 UNL1111111111 0.1550 49 H -1.8010 1.4544 2.3876 H 1 UNL1111111111 0.1481 50 H -2.2148 2.8515 1.3862 H 1 UNL1111111111 0.1518 51 H 6.1175 1.7735 -0.3542 H 1 UNL1111111111 0.1785 52 H 6.1971 0.5044 -1.5768 H 1 UNL1111111111 0.1790 53 H -5.1913 2.2086 -1.4639 H 1 UNL1111111111 0.1727 54 H -4.9721 2.2992 0.2838 H 1 UNL1111111111 0.1696 55 H -4.9549 -1.5405 0.6495 H 1 UNL1111111111 0.1837 56 H -2.4212 -1.9156 -1.1442 H 1 UNL1111111111 0.1698 @BOND 1 1 15 1 2 1 56 1 3 2 8 1 4 2 23 1 5 3 23 2 6 4 26 2 7 5 6 1 8 5 8 1 9 5 10 1 10 5 16 1 11 6 7 1 12 6 11 1 13 6 27 1 14 7 9 1 15 7 15 1 16 7 28 1 17 8 14 1 18 8 17 1 19 9 12 1 20 9 13 1 21 9 29 1 22 10 13 1 23 10 30 1 24 10 31 1 25 11 14 1 26 11 32 1 27 11 33 1 28 12 18 1 29 12 20 1 30 12 21 1 31 13 34 1 32 13 35 1 33 14 36 1 34 14 37 1 35 15 19 1 36 15 38 1 37 16 39 1 38 16 40 1 39 16 41 1 40 17 22 1 41 17 42 1 42 17 43 1 43 18 19 1 44 18 25 2 45 19 44 1 46 19 45 1 47 20 24 1 48 20 46 1 49 20 47 1 50 21 48 1 51 21 49 1 52 21 50 1 53 22 23 1 54 22 51 1 55 22 52 1 56 24 26 1 57 24 53 1 58 24 54 1 59 25 26 1 60 25 55 1