@MOLECULE (6alpha,11beta,16alpha)-6,9-difluoro-11,16,17,21-tetrahydroxypregna-1,4-diene-3,20-dione 55 58 0 0 0 SMALL GASTEIGER @ATOM 1 F 1.3564 0.2499 1.3490 F 1 UNL1111111111 -0.2207 2 F 3.5845 -2.8136 -0.7580 F 1 UNL1111111111 -0.2065 3 O -3.1235 -0.1874 1.8350 O.3 1 UNL1111111111 -0.5577 4 O 0.1756 2.1549 -1.3434 O.3 1 UNL1111111111 -0.5742 5 O -3.3704 -2.6881 1.3036 O.3 1 UNL1111111111 -0.5549 6 O -4.9867 -0.1046 -1.0265 O.2 1 UNL1111111111 -0.4546 7 O -5.5982 2.3659 -0.0702 O.3 1 UNL1111111111 -0.5227 8 O 6.0352 0.7286 1.6288 O.2 1 UNL1111111111 -0.4355 9 C -1.8359 0.1217 -0.1954 C.3 1 UNL1111111111 0.0513 10 C -0.8655 -1.0548 0.1082 C.3 1 UNL1111111111 -0.1338 11 C 0.4853 -0.8280 -0.5636 C.3 1 UNL1111111111 -0.1558 12 C 1.1190 0.4609 0.0294 C.3 1 UNL1111111111 0.1973 13 C -3.1471 -0.4271 0.4524 C.3 1 UNL1111111111 0.0963 14 C -1.2758 1.3783 0.4651 C.3 1 UNL1111111111 -0.3545 15 C -1.6678 -2.3052 -0.2781 C.3 1 UNL1111111111 -0.3085 16 C 0.1505 1.6897 -0.0105 C.3 1 UNL1111111111 0.1214 17 C -3.1192 -1.9615 0.1198 C.3 1 UNL1111111111 0.1093 18 C 2.5300 0.7421 -0.6011 C.3 1 UNL1111111111 -0.0060 19 C 1.4050 -2.0351 -0.3659 C.3 1 UNL1111111111 -0.3230 20 C -2.0920 0.3414 -1.6877 C.3 1 UNL1111111111 -0.4828 21 C 2.7821 -1.7445 -0.9888 C.3 1 UNL1111111111 0.0816 22 C 3.3665 -0.4996 -0.3693 C.2 1 UNL1111111111 0.0050 23 C -4.3965 0.2802 -0.0473 C.2 1 UNL1111111111 0.3995 24 C 2.4696 1.0240 -2.1106 C.3 1 UNL1111111111 -0.4387 25 C 3.1124 1.9699 0.0462 C.2 1 UNL1111111111 -0.0828 26 C 4.5019 -0.4929 0.3354 C.2 1 UNL1111111111 -0.2814 27 C -4.8683 1.4781 0.7405 C.3 1 UNL1111111111 -0.0884 28 C 4.2451 1.9727 0.7526 C.2 1 UNL1111111111 -0.2830 29 C 5.0219 0.7364 0.9679 C.2 1 UNL1111111111 0.4690 30 H -0.7076 -1.1031 1.2195 H 1 UNL1111111111 0.1651 31 H 0.3354 -0.6599 -1.6599 H 1 UNL1111111111 0.1627 32 H -1.2810 1.2553 1.5723 H 1 UNL1111111111 0.1866 33 H -1.9308 2.2507 0.2769 H 1 UNL1111111111 0.1550 34 H -1.5897 -2.5373 -1.3515 H 1 UNL1111111111 0.1527 35 H -1.3201 -3.2044 0.2643 H 1 UNL1111111111 0.1723 36 H 0.5725 2.5278 0.6001 H 1 UNL1111111111 0.1395 37 H -3.8590 -2.2340 -0.6582 H 1 UNL1111111111 0.1446 38 H 0.9568 -2.9373 -0.8266 H 1 UNL1111111111 0.1590 39 H 1.5113 -2.2831 0.7110 H 1 UNL1111111111 0.1760 40 H -2.7079 1.2306 -1.8690 H 1 UNL1111111111 0.1538 41 H -1.1586 0.4653 -2.2531 H 1 UNL1111111111 0.1681 42 H -2.6239 -0.5031 -2.1464 H 1 UNL1111111111 0.1633 43 H 2.7022 -1.6260 -2.1069 H 1 UNL1111111111 0.1471 44 H 2.1159 2.0460 -2.3202 H 1 UNL1111111111 0.1779 45 H 3.4632 0.9307 -2.5671 H 1 UNL1111111111 0.1575 46 H 1.7835 0.3548 -2.6378 H 1 UNL1111111111 0.1497 47 H 2.5439 2.8870 -0.1276 H 1 UNL1111111111 0.1593 48 H -2.8621 -1.0112 2.3225 H 1 UNL1111111111 0.3567 49 H -0.7012 2.4881 -1.6205 H 1 UNL1111111111 0.3300 50 H -4.3305 -2.7347 1.4926 H 1 UNL1111111111 0.3255 51 H 5.1172 -1.3776 0.5100 H 1 UNL1111111111 0.1913 52 H -4.0333 2.0933 1.1331 H 1 UNL1111111111 0.1735 53 H -5.4980 1.1586 1.5969 H 1 UNL1111111111 0.1593 54 H 4.6601 2.8712 1.2073 H 1 UNL1111111111 0.1783 55 H -6.1682 1.8657 -0.7005 H 1 UNL1111111111 0.3303 @BOND 1 1 12 1 2 2 21 1 3 3 13 1 4 3 48 1 5 4 16 1 6 4 49 1 7 5 17 1 8 5 50 1 9 6 23 2 10 7 27 1 11 7 55 1 12 8 29 2 13 9 10 1 14 9 13 1 15 9 14 1 16 9 20 1 17 10 11 1 18 10 15 1 19 10 30 1 20 11 12 1 21 11 19 1 22 11 31 1 23 12 16 1 24 12 18 1 25 13 17 1 26 13 23 1 27 14 16 1 28 14 32 1 29 14 33 1 30 15 17 1 31 15 34 1 32 15 35 1 33 16 36 1 34 17 37 1 35 18 22 1 36 18 24 1 37 18 25 1 38 19 21 1 39 19 38 1 40 19 39 1 41 20 40 1 42 20 41 1 43 20 42 1 44 21 22 1 45 21 43 1 46 22 26 2 47 23 27 1 48 24 44 1 49 24 45 1 50 24 46 1 51 25 28 2 52 25 47 1 53 26 29 1 54 26 51 1 55 27 52 1 56 27 53 1 57 28 29 1 58 28 54 1