@MOLECULE (20r)-17,20,21-trihydroxypregn-4-ene-3,11-dione 56 59 0 0 0 SMALL GASTEIGER @ATOM 1 O 3.1799 0.1714 1.7432 O.3 1 UNL1111111111 -0.5876 2 O -0.7358 -2.4193 -0.4658 O.2 1 UNL1111111111 -0.4599 3 O 4.1223 -1.7664 0.0011 O.3 1 UNL1111111111 -0.5501 4 O 6.7197 -0.5967 -0.1061 O.3 1 UNL1111111111 -0.5424 5 O -6.4873 -0.2209 1.2326 O.2 1 UNL1111111111 -0.4643 6 C 1.7234 -0.0251 -0.1996 C.3 1 UNL1111111111 0.0419 7 C 0.8613 1.2058 0.2054 C.3 1 UNL1111111111 -0.1584 8 C -0.5417 1.1094 -0.3925 C.3 1 UNL1111111111 -0.1099 9 C 3.1167 0.4083 0.3495 C.3 1 UNL1111111111 0.2301 10 C -1.2236 -0.1595 0.1777 C.3 1 UNL1111111111 -0.2535 11 C 1.7365 2.4048 -0.1919 C.3 1 UNL1111111111 -0.2725 12 C 1.1099 -1.2658 0.4404 C.3 1 UNL1111111111 -0.4064 13 C -2.6554 -0.3496 -0.3982 C.3 1 UNL1111111111 0.0722 14 C 3.1853 1.9299 0.0632 C.3 1 UNL1111111111 -0.3397 15 C -1.3805 2.3387 -0.0223 C.3 1 UNL1111111111 -0.2746 16 C -0.3326 -1.3799 -0.0105 C.2 1 UNL1111111111 0.4809 17 C 1.8105 -0.2361 -1.7144 C.3 1 UNL1111111111 -0.4655 18 C 4.3246 -0.3831 -0.1833 C.3 1 UNL1111111111 0.0719 19 C -3.4429 0.9316 -0.2005 C.2 1 UNL1111111111 0.0953 20 C -2.7814 2.2079 -0.6245 C.3 1 UNL1111111111 -0.3006 21 C -3.3185 -1.5241 0.3651 C.3 1 UNL1111111111 -0.2841 22 C -2.6336 -0.6546 -1.9029 C.3 1 UNL1111111111 -0.4596 23 C -4.8334 -1.5671 0.1866 C.3 1 UNL1111111111 -0.3781 24 C -4.6968 0.9557 0.2726 C.2 1 UNL1111111111 -0.3649 25 C 5.6235 0.0140 0.5391 C.3 1 UNL1111111111 -0.0437 26 C -5.4394 -0.2614 0.6331 C.2 1 UNL1111111111 0.4907 27 H 0.7516 1.2171 1.3196 H 1 UNL1111111111 0.1338 28 H -0.4788 1.0363 -1.5036 H 1 UNL1111111111 0.1518 29 H -1.3332 -0.0181 1.2868 H 1 UNL1111111111 0.1675 30 H 1.4927 3.3044 0.3923 H 1 UNL1111111111 0.1383 31 H 1.5872 2.6772 -1.2499 H 1 UNL1111111111 0.1455 32 H 1.1698 -1.2387 1.5442 H 1 UNL1111111111 0.1725 33 H 1.6725 -2.1793 0.1415 H 1 UNL1111111111 0.1954 34 H 3.8278 2.1449 -0.8055 H 1 UNL1111111111 0.1544 35 H 3.6418 2.4603 0.9151 H 1 UNL1111111111 0.1557 36 H -0.8938 3.2610 -0.3907 H 1 UNL1111111111 0.1415 37 H -1.4470 2.4514 1.0765 H 1 UNL1111111111 0.1467 38 H 2.4510 -1.0996 -1.9517 H 1 UNL1111111111 0.1715 39 H 0.8311 -0.4566 -2.1559 H 1 UNL1111111111 0.1551 40 H 2.2150 0.6378 -2.2337 H 1 UNL1111111111 0.1488 41 H 4.4335 -0.2897 -1.2881 H 1 UNL1111111111 0.1622 42 H -2.7268 2.2374 -1.7346 H 1 UNL1111111111 0.1592 43 H -3.3915 3.0913 -0.3432 H 1 UNL1111111111 0.1550 44 H -3.0770 -1.4588 1.4433 H 1 UNL1111111111 0.1422 45 H -2.8808 -2.4855 0.0193 H 1 UNL1111111111 0.1780 46 H -2.1514 -1.6227 -2.1029 H 1 UNL1111111111 0.1756 47 H -3.6497 -0.7108 -2.3107 H 1 UNL1111111111 0.1534 48 H -2.0906 0.1047 -2.4721 H 1 UNL1111111111 0.1409 49 H 2.5203 0.7010 2.2307 H 1 UNL1111111111 0.3287 50 H -5.2700 -2.4127 0.7568 H 1 UNL1111111111 0.1735 51 H -5.1061 -1.7562 -0.8716 H 1 UNL1111111111 0.1701 52 H -5.2515 1.8820 0.4169 H 1 UNL1111111111 0.1764 53 H 5.8428 1.0924 0.4668 H 1 UNL1111111111 0.1426 54 H 5.6129 -0.2907 1.6017 H 1 UNL1111111111 0.1389 55 H 3.8828 -1.9485 0.9387 H 1 UNL1111111111 0.3312 56 H 6.5349 -1.5541 -0.2347 H 1 UNL1111111111 0.3265 @BOND 1 1 9 1 2 1 49 1 3 2 16 2 4 3 18 1 5 3 55 1 6 4 25 1 7 4 56 1 8 5 26 2 9 6 7 1 10 6 9 1 11 6 12 1 12 6 17 1 13 7 8 1 14 7 11 1 15 7 27 1 16 8 10 1 17 8 15 1 18 8 28 1 19 9 14 1 20 9 18 1 21 10 13 1 22 10 16 1 23 10 29 1 24 11 14 1 25 11 30 1 26 11 31 1 27 12 16 1 28 12 32 1 29 12 33 1 30 13 19 1 31 13 21 1 32 13 22 1 33 14 34 1 34 14 35 1 35 15 20 1 36 15 36 1 37 15 37 1 38 17 38 1 39 17 39 1 40 17 40 1 41 18 25 1 42 18 41 1 43 19 20 1 44 19 24 2 45 20 42 1 46 20 43 1 47 21 23 1 48 21 44 1 49 21 45 1 50 22 46 1 51 22 47 1 52 22 48 1 53 23 26 1 54 23 50 1 55 23 51 1 56 24 26 1 57 24 52 1 58 25 53 1 59 25 54 1