@MOLECULE methyl 11-hydroxy-3,20-dioxopregna-1,4-dien-21-oate 55 58 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.8236 -2.3641 0.1152 O.3 1 UNL1111111111 -0.5763 2 O 4.8876 1.3325 -0.5397 O.2 1 UNL1111111111 -0.3633 3 O 4.9052 -1.3658 0.9799 O.3 1 UNL1111111111 -0.3903 4 O -6.3103 -1.1444 1.2464 O.2 1 UNL1111111111 -0.4581 5 O 4.0978 -1.6450 -1.1086 O.2 1 UNL1111111111 -0.4708 6 C 1.5466 0.5072 -0.0868 C.3 1 UNL1111111111 0.0972 7 C 0.5068 1.4563 0.5758 C.3 1 UNL1111111111 -0.1403 8 C -0.8445 1.3573 -0.1268 C.3 1 UNL1111111111 -0.1267 9 C -1.3797 -0.0894 0.0391 C.3 1 UNL1111111111 -0.1558 10 C 1.0796 -0.9214 0.1794 C.3 1 UNL1111111111 -0.3809 11 C 2.8425 0.9340 0.6672 C.3 1 UNL1111111111 -0.2398 12 C -0.3327 -1.1358 -0.4063 C.3 1 UNL1111111111 0.1641 13 C 1.2159 2.8169 0.5916 C.3 1 UNL1111111111 -0.2761 14 C -2.7430 -0.2388 -0.7066 C.3 1 UNL1111111111 0.0183 15 C 2.7001 2.4674 0.8472 C.3 1 UNL1111111111 -0.2539 16 C -1.8442 2.3541 0.4782 C.3 1 UNL1111111111 -0.2751 17 C 1.7332 0.7326 -1.5894 C.3 1 UNL1111111111 -0.4779 18 C -3.2036 2.2264 -0.2203 C.3 1 UNL1111111111 -0.2977 19 C -3.6722 0.8076 -0.1242 C.2 1 UNL1111111111 0.0866 20 C -2.6297 -0.0172 -2.2268 C.3 1 UNL1111111111 -0.4481 21 C 4.0969 0.5682 -0.0636 C.2 1 UNL1111111111 0.4016 22 C -3.2725 -1.6388 -0.5263 C.2 1 UNL1111111111 -0.0534 23 C -4.8270 0.5055 0.4836 C.2 1 UNL1111111111 -0.3479 24 C -4.4236 -1.9317 0.0855 C.2 1 UNL1111111111 -0.3170 25 C -5.2840 -0.8837 0.6585 C.2 1 UNL1111111111 0.4817 26 C 4.3569 -0.9364 -0.1754 C.2 1 UNL1111111111 0.4915 27 C 5.2377 -2.7515 1.0439 C.3 1 UNL1111111111 -0.1694 28 H 0.3636 1.1350 1.6392 H 1 UNL1111111111 0.1461 29 H -0.7229 1.5904 -1.2103 H 1 UNL1111111111 0.1463 30 H -1.5826 -0.2765 1.1260 H 1 UNL1111111111 0.1695 31 H 1.0574 -1.1368 1.2656 H 1 UNL1111111111 0.1615 32 H 1.7770 -1.6573 -0.2636 H 1 UNL1111111111 0.1585 33 H 2.8657 0.4434 1.6725 H 1 UNL1111111111 0.1731 34 H -0.2938 -1.2286 -1.5132 H 1 UNL1111111111 0.1212 35 H 0.8141 3.4815 1.3705 H 1 UNL1111111111 0.1368 36 H 1.0903 3.3489 -0.3652 H 1 UNL1111111111 0.1417 37 H 3.3567 3.0157 0.1473 H 1 UNL1111111111 0.1605 38 H 3.0148 2.7703 1.8581 H 1 UNL1111111111 0.1408 39 H -1.4632 3.3870 0.3792 H 1 UNL1111111111 0.1418 40 H -1.9587 2.1752 1.5647 H 1 UNL1111111111 0.1491 41 H 2.1241 1.7348 -1.8040 H 1 UNL1111111111 0.1603 42 H 2.4353 0.0051 -2.0218 H 1 UNL1111111111 0.1656 43 H 0.7954 0.6290 -2.1451 H 1 UNL1111111111 0.1529 44 H -3.1286 2.5403 -1.2814 H 1 UNL1111111111 0.1550 45 H -3.9306 2.9276 0.2377 H 1 UNL1111111111 0.1547 46 H -2.1928 0.9559 -2.4717 H 1 UNL1111111111 0.1494 47 H -2.0094 -0.7854 -2.7020 H 1 UNL1111111111 0.1517 48 H -3.6205 -0.0603 -2.6986 H 1 UNL1111111111 0.1598 49 H -2.6488 -2.4259 -0.9607 H 1 UNL1111111111 0.1706 50 H -0.1712 -3.0801 0.0049 H 1 UNL1111111111 0.3189 51 H -5.4897 1.2611 0.9020 H 1 UNL1111111111 0.1778 52 H -4.7893 -2.9511 0.1986 H 1 UNL1111111111 0.1785 53 H 5.6765 -2.8500 2.0443 H 1 UNL1111111111 0.1514 54 H 5.9652 -3.0016 0.2641 H 1 UNL1111111111 0.1450 55 H 4.3351 -3.3614 0.9387 H 1 UNL1111111111 0.1393 @BOND 1 1 12 1 2 1 50 1 3 2 21 2 4 3 26 1 5 3 27 1 6 4 25 2 7 5 26 2 8 6 7 1 9 6 10 1 10 6 11 1 11 6 17 1 12 7 8 1 13 7 13 1 14 7 28 1 15 8 9 1 16 8 16 1 17 8 29 1 18 9 12 1 19 9 14 1 20 9 30 1 21 10 12 1 22 10 31 1 23 10 32 1 24 11 15 1 25 11 21 1 26 11 33 1 27 12 34 1 28 13 15 1 29 13 35 1 30 13 36 1 31 14 19 1 32 14 20 1 33 14 22 1 34 15 37 1 35 15 38 1 36 16 18 1 37 16 39 1 38 16 40 1 39 17 41 1 40 17 42 1 41 17 43 1 42 18 19 1 43 18 44 1 44 18 45 1 45 19 23 2 46 20 46 1 47 20 47 1 48 20 48 1 49 21 26 1 50 22 24 2 51 22 49 1 52 23 25 1 53 23 51 1 54 24 25 1 55 24 52 1 56 27 53 1 57 27 54 1 58 27 55 1