@MOLECULE (1r,3as,3br,7as,8ar,8br,8cr,10as)-1-acetyl-1-ethoxy-5-fluoro-8b,10a-dimethyl-2,3,3a,3b,7a,8,8a,8b,8c,9,10,10a-dodecahydrocyclopenta[a]cyclopropa[g]phenanthren-7(1h)-one 59 63 0 0 0 SMALL GASTEIGER @ATOM 1 F -3.0659 2.8671 1.0705 F 1 UNL1111111111 -0.1701 2 O 2.8131 -0.7987 1.1254 O.3 1 UNL1111111111 -0.4175 3 O -5.9440 -1.1259 1.0159 O.2 1 UNL1111111111 -0.4327 4 O 5.2878 0.5623 -0.8430 O.2 1 UNL1111111111 -0.4615 5 C -2.0107 -0.4578 -0.1285 C.3 1 UNL1111111111 0.0653 6 C -1.0465 0.0809 -1.2312 C.3 1 UNL1111111111 -0.1236 7 C -2.7518 -1.6606 -0.7107 C.3 1 UNL1111111111 -0.1559 8 C 1.9349 0.1665 -0.8218 C.3 1 UNL1111111111 0.0676 9 C 0.9638 1.0897 -0.0423 C.3 1 UNL1111111111 -0.1299 10 C -0.2968 1.3892 -0.8539 C.3 1 UNL1111111111 -0.1188 11 C -4.2204 -1.8873 -0.3998 C.3 1 UNL1111111111 -0.2830 12 C -3.7858 -1.4872 -1.7954 C.3 1 UNL1111111111 -0.3054 13 C -0.0741 -0.9811 -1.7897 C.3 1 UNL1111111111 -0.2708 14 C 1.2362 -1.1785 -1.0116 C.3 1 UNL1111111111 -0.2879 15 C 3.1584 0.1658 0.1594 C.3 1 UNL1111111111 0.1228 16 C 1.8483 2.2682 0.3915 C.3 1 UNL1111111111 -0.2722 17 C -2.9697 0.6517 0.2767 C.2 1 UNL1111111111 0.0204 18 C 3.2071 1.6068 0.7209 C.3 1 UNL1111111111 -0.3170 19 C -1.3279 -0.9246 1.1645 C.3 1 UNL1111111111 -0.4563 20 C -1.1636 2.3382 -0.0965 C.2 1 UNL1111111111 -0.2047 21 C 2.3951 0.7355 -2.1678 C.3 1 UNL1111111111 -0.4709 22 C -4.9119 -0.8729 0.4426 C.2 1 UNL1111111111 0.4812 23 C -2.3515 1.9703 0.3987 C.2 1 UNL1111111111 0.1285 24 C -4.2685 0.4517 0.5444 C.2 1 UNL1111111111 -0.2899 25 C 4.4578 -0.2558 -0.5336 C.2 1 UNL1111111111 0.4480 26 C 4.6454 -1.7116 -0.8247 C.3 1 UNL1111111111 -0.5458 27 C 3.6575 -0.8909 2.2692 C.3 1 UNL1111111111 -0.0203 28 C 3.3076 -2.2481 2.8696 C.3 1 UNL1111111111 -0.4550 29 H -1.7258 0.3586 -2.0860 H 1 UNL1111111111 0.1411 30 H -2.1122 -2.5531 -0.7462 H 1 UNL1111111111 0.1647 31 H 0.6547 0.5482 0.8914 H 1 UNL1111111111 0.1633 32 H 0.0051 1.8857 -1.8160 H 1 UNL1111111111 0.1542 33 H -4.5859 -2.9068 -0.2295 H 1 UNL1111111111 0.1841 34 H -3.8567 -2.2116 -2.6022 H 1 UNL1111111111 0.1609 35 H -4.0256 -0.4927 -2.1664 H 1 UNL1111111111 0.1672 36 H 0.1756 -0.6993 -2.8339 H 1 UNL1111111111 0.1390 37 H -0.5867 -1.9574 -1.8777 H 1 UNL1111111111 0.1400 38 H 1.0352 -1.6497 -0.0281 H 1 UNL1111111111 0.1590 39 H 1.8886 -1.8906 -1.5470 H 1 UNL1111111111 0.1364 40 H 1.4309 2.7954 1.2625 H 1 UNL1111111111 0.1407 41 H 1.9520 3.0166 -0.4100 H 1 UNL1111111111 0.1413 42 H 4.0419 2.1755 0.2701 H 1 UNL1111111111 0.1700 43 H 3.3908 1.6070 1.8055 H 1 UNL1111111111 0.1479 44 H -0.8694 -0.0888 1.7089 H 1 UNL1111111111 0.1594 45 H -2.0511 -1.3938 1.8442 H 1 UNL1111111111 0.1597 46 H -0.5379 -1.6580 0.9640 H 1 UNL1111111111 0.1578 47 H -0.7596 3.3424 0.0316 H 1 UNL1111111111 0.1721 48 H 3.0066 0.0144 -2.7212 H 1 UNL1111111111 0.1460 49 H 1.5476 0.9978 -2.8103 H 1 UNL1111111111 0.1540 50 H 2.9981 1.6444 -2.0420 H 1 UNL1111111111 0.1626 51 H -4.9443 1.2455 0.8711 H 1 UNL1111111111 0.1911 52 H 4.0337 -2.3534 -0.1739 H 1 UNL1111111111 0.1827 53 H 4.3678 -1.9342 -1.8655 H 1 UNL1111111111 0.1775 54 H 5.6982 -2.0078 -0.7091 H 1 UNL1111111111 0.1789 55 H 4.7194 -0.8214 1.9808 H 1 UNL1111111111 0.1189 56 H 3.4051 -0.0619 2.9549 H 1 UNL1111111111 0.1225 57 H 3.8354 -2.4102 3.8151 H 1 UNL1111111111 0.1508 58 H 2.2293 -2.3231 3.0657 H 1 UNL1111111111 0.1601 59 H 3.5671 -3.0671 2.1887 H 1 UNL1111111111 0.1515 @BOND 1 1 23 1 2 2 15 1 3 2 27 1 4 3 22 2 5 4 25 2 6 5 6 1 7 5 7 1 8 5 17 1 9 5 19 1 10 6 10 1 11 6 13 1 12 6 29 1 13 7 11 1 14 7 12 1 15 7 30 1 16 8 9 1 17 8 14 1 18 8 15 1 19 8 21 1 20 9 10 1 21 9 16 1 22 9 31 1 23 10 20 1 24 10 32 1 25 11 12 1 26 11 22 1 27 11 33 1 28 12 34 1 29 12 35 1 30 13 14 1 31 13 36 1 32 13 37 1 33 14 38 1 34 14 39 1 35 15 18 1 36 15 25 1 37 16 18 1 38 16 40 1 39 16 41 1 40 17 23 1 41 17 24 2 42 18 42 1 43 18 43 1 44 19 44 1 45 19 45 1 46 19 46 1 47 20 23 2 48 20 47 1 49 21 48 1 50 21 49 1 51 21 50 1 52 22 24 1 53 24 51 1 54 25 26 1 55 26 52 1 56 26 53 1 57 26 54 1 58 27 28 1 59 27 55 1 60 27 56 1 61 28 57 1 62 28 58 1 63 28 59 1