@MOLECULE 6-chloro-16-methylene-3,20-dioxopregna-4,6-dien-17-yl acetate 58 61 0 0 0 SMALL GASTEIGER @ATOM 1 CL -3.6494 -3.0069 -0.0466 Cl 1 UNL1111111111 -0.0862 2 O 3.0670 0.2603 -1.2281 O.3 1 UNL1111111111 -0.4472 3 O 4.7109 0.4425 1.8825 O.2 1 UNL1111111111 -0.4365 4 O -6.4319 1.0600 -1.3973 O.2 1 UNL1111111111 -0.4477 5 O 5.1880 -0.4292 -1.5429 O.2 1 UNL1111111111 -0.5040 6 C 1.6999 0.5443 0.6684 C.3 1 UNL1111111111 0.0640 7 C 0.8247 -0.6716 0.2399 C.3 1 UNL1111111111 -0.1327 8 C -0.5988 -0.5033 0.7647 C.3 1 UNL1111111111 -0.1349 9 C -1.1881 0.7527 0.0660 C.3 1 UNL1111111111 -0.1316 10 C 3.1064 0.0455 0.1804 C.3 1 UNL1111111111 0.1243 11 C 1.1435 1.7935 -0.0142 C.3 1 UNL1111111111 -0.2882 12 C -2.6901 0.9264 0.4334 C.3 1 UNL1111111111 0.0482 13 C -0.3328 1.9930 0.3830 C.3 1 UNL1111111111 -0.2709 14 C 1.6544 -1.8898 0.6789 C.3 1 UNL1111111111 -0.2917 15 C 3.0799 -1.4433 0.4714 C.2 1 UNL1111111111 -0.0295 16 C 1.7793 0.7511 2.1837 C.3 1 UNL1111111111 -0.4698 17 C -1.4473 -1.7014 0.5039 C.2 1 UNL1111111111 -0.1395 18 C -3.4387 -0.3126 -0.0411 C.2 1 UNL1111111111 0.0473 19 C -3.2310 2.1839 -0.2845 C.3 1 UNL1111111111 -0.2770 20 C -2.9072 1.0513 1.9471 C.3 1 UNL1111111111 -0.4546 21 C 4.2600 0.8093 0.8280 C.2 1 UNL1111111111 0.4676 22 C -2.7337 -1.5691 0.1657 C.2 1 UNL1111111111 -0.0379 23 C -4.7543 2.2733 -0.2459 C.3 1 UNL1111111111 -0.3790 24 C 4.1481 -2.2305 0.5426 C.2 1 UNL1111111111 -0.2895 25 C -4.6554 -0.2461 -0.6019 C.2 1 UNL1111111111 -0.3001 26 C -5.3763 1.0228 -0.8119 C.2 1 UNL1111111111 0.4803 27 C 4.7582 2.0352 0.1332 C.3 1 UNL1111111111 -0.5463 28 C 4.1249 -0.1039 -1.9993 C.2 1 UNL1111111111 0.6351 29 C 3.7394 0.0078 -3.4338 C.3 1 UNL1111111111 -0.5102 30 H 0.7777 -0.6895 -0.8820 H 1 UNL1111111111 0.1563 31 H -0.5746 -0.3388 1.8751 H 1 UNL1111111111 0.1679 32 H -1.1402 0.5800 -1.0401 H 1 UNL1111111111 0.1481 33 H 1.2290 1.7045 -1.1145 H 1 UNL1111111111 0.1532 34 H 1.7308 2.6877 0.2617 H 1 UNL1111111111 0.1411 35 H -0.4020 2.2401 1.4585 H 1 UNL1111111111 0.1440 36 H -0.7261 2.8747 -0.1564 H 1 UNL1111111111 0.1374 37 H 1.4144 -2.7896 0.0877 H 1 UNL1111111111 0.1527 38 H 1.4726 -2.1523 1.7375 H 1 UNL1111111111 0.1593 39 H 0.7896 0.8587 2.6389 H 1 UNL1111111111 0.1524 40 H 2.2800 -0.0897 2.6861 H 1 UNL1111111111 0.1710 41 H 2.3489 1.6536 2.4372 H 1 UNL1111111111 0.1542 42 H -0.9618 -2.6695 0.6339 H 1 UNL1111111111 0.1733 43 H -2.8891 2.1848 -1.3393 H 1 UNL1111111111 0.1488 44 H -2.7982 3.0926 0.1771 H 1 UNL1111111111 0.1477 45 H -2.3529 1.8984 2.3644 H 1 UNL1111111111 0.1504 46 H -3.9674 1.2002 2.1867 H 1 UNL1111111111 0.1563 47 H -2.5888 0.1479 2.4806 H 1 UNL1111111111 0.1536 48 H -5.1089 3.1622 -0.8074 H 1 UNL1111111111 0.1731 49 H -5.1229 2.4225 0.7901 H 1 UNL1111111111 0.1717 50 H 5.1621 -1.8723 0.4032 H 1 UNL1111111111 0.1748 51 H 4.1002 -3.2875 0.7528 H 1 UNL1111111111 0.1512 52 H -5.2057 -1.1243 -0.9495 H 1 UNL1111111111 0.1929 53 H 4.0102 2.4927 -0.5243 H 1 UNL1111111111 0.1692 54 H 5.0963 2.7920 0.8567 H 1 UNL1111111111 0.1806 55 H 5.6377 1.7806 -0.4856 H 1 UNL1111111111 0.1968 56 H 2.7924 0.5490 -3.5818 H 1 UNL1111111111 0.1841 57 H 3.6169 -0.9966 -3.8733 H 1 UNL1111111111 0.1898 58 H 4.5237 0.5225 -4.0108 H 1 UNL1111111111 0.1862 @BOND 1 1 22 1 2 2 10 1 3 2 28 1 4 3 21 2 5 4 26 2 6 5 28 2 7 6 7 1 8 6 10 1 9 6 11 1 10 6 16 1 11 7 8 1 12 7 14 1 13 7 30 1 14 8 9 1 15 8 17 1 16 8 31 1 17 9 12 1 18 9 13 1 19 9 32 1 20 10 15 1 21 10 21 1 22 11 13 1 23 11 33 1 24 11 34 1 25 12 18 1 26 12 19 1 27 12 20 1 28 13 35 1 29 13 36 1 30 14 15 1 31 14 37 1 32 14 38 1 33 15 24 2 34 16 39 1 35 16 40 1 36 16 41 1 37 17 22 2 38 17 42 1 39 18 22 1 40 18 25 2 41 19 23 1 42 19 43 1 43 19 44 1 44 20 45 1 45 20 46 1 46 20 47 1 47 21 27 1 48 23 26 1 49 23 48 1 50 23 49 1 51 24 50 1 52 24 51 1 53 25 26 1 54 25 52 1 55 27 53 1 56 27 54 1 57 27 55 1 58 28 29 1 59 29 56 1 60 29 57 1 61 29 58 1