@MOLECULE methylprednisolone 57 60 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.0341 -0.2391 2.0476 O.3 1 UNL1111111111 -0.5764 2 O -0.0339 1.8052 -1.5558 O.3 1 UNL1111111111 -0.5783 3 O -5.1363 -0.5405 -0.6452 O.2 1 UNL1111111111 -0.4076 4 O -4.9490 2.2332 -0.2134 O.3 1 UNL1111111111 -0.5190 5 O 5.8517 1.0380 1.6804 O.2 1 UNL1111111111 -0.4614 6 C -1.9165 -0.0992 -0.0691 C.3 1 UNL1111111111 0.0744 7 C -0.8848 -1.1935 0.3196 C.3 1 UNL1111111111 -0.1432 8 C 0.4376 -0.9912 -0.4215 C.3 1 UNL1111111111 -0.1185 9 C 1.0159 0.3698 0.0413 C.3 1 UNL1111111111 -0.1551 10 C -3.1669 -0.6362 0.6986 C.3 1 UNL1111111111 0.1642 11 C -1.3832 1.2501 0.4090 C.3 1 UNL1111111111 -0.3669 12 C 0.0164 1.5303 -0.1695 C.3 1 UNL1111111111 0.1627 13 C -1.6540 -2.5065 0.1081 C.3 1 UNL1111111111 -0.2711 14 C 2.4057 0.6358 -0.6132 C.3 1 UNL1111111111 0.0249 15 C -3.1032 -2.1705 0.5364 C.3 1 UNL1111111111 -0.3222 16 C 1.4118 -2.1282 -0.0820 C.3 1 UNL1111111111 -0.2948 17 C 2.7943 -1.8718 -0.7129 C.3 1 UNL1111111111 -0.1086 18 C -2.2605 -0.0617 -1.5593 C.3 1 UNL1111111111 -0.4842 19 C 3.2925 -0.5351 -0.2291 C.2 1 UNL1111111111 0.0799 20 C -4.4691 -0.0105 0.2009 C.2 1 UNL1111111111 0.4104 21 C 2.3658 0.7454 -2.1476 C.3 1 UNL1111111111 -0.4364 22 C 2.9287 1.9563 -0.1064 C.2 1 UNL1111111111 -0.0844 23 C 3.7304 -3.0395 -0.3912 C.3 1 UNL1111111111 -0.4494 24 C 4.4010 -0.3860 0.5062 C.2 1 UNL1111111111 -0.3547 25 C -4.8745 1.3031 0.8533 C.3 1 UNL1111111111 -0.1032 26 C 4.0365 2.0914 0.6263 C.2 1 UNL1111111111 -0.3033 27 C 4.8542 0.9222 1.0010 C.2 1 UNL1111111111 0.4791 28 H -0.6812 -1.0975 1.4202 H 1 UNL1111111111 0.1498 29 H 0.2630 -0.9657 -1.5225 H 1 UNL1111111111 0.1556 30 H 1.1931 0.3045 1.1479 H 1 UNL1111111111 0.1497 31 H -1.3360 1.2705 1.5180 H 1 UNL1111111111 0.1729 32 H -2.0818 2.0643 0.1364 H 1 UNL1111111111 0.1596 33 H 0.4197 2.4664 0.2913 H 1 UNL1111111111 0.1196 34 H -1.2315 -3.3290 0.7028 H 1 UNL1111111111 0.1372 35 H -1.6144 -2.8301 -0.9449 H 1 UNL1111111111 0.1463 36 H -3.8286 -2.5153 -0.2254 H 1 UNL1111111111 0.1731 37 H -3.3779 -2.6866 1.4686 H 1 UNL1111111111 0.1406 38 H 1.0102 -3.0893 -0.4447 H 1 UNL1111111111 0.1430 39 H 1.5124 -2.2306 1.0152 H 1 UNL1111111111 0.1476 40 H 2.6811 -1.8217 -1.8278 H 1 UNL1111111111 0.1540 41 H -2.7811 -0.9713 -1.8869 H 1 UNL1111111111 0.1622 42 H -1.3617 0.0246 -2.1843 H 1 UNL1111111111 0.1701 43 H -2.9235 0.7801 -1.8009 H 1 UNL1111111111 0.1588 44 H 1.7009 -0.0011 -2.5946 H 1 UNL1111111111 0.1538 45 H 3.3647 0.6277 -2.5809 H 1 UNL1111111111 0.1465 46 H 1.9756 1.7217 -2.4728 H 1 UNL1111111111 0.1738 47 H 2.3345 2.8226 -0.4091 H 1 UNL1111111111 0.1591 48 H -3.2124 -0.9735 2.6650 H 1 UNL1111111111 0.3289 49 H -0.9325 2.0706 -1.8334 H 1 UNL1111111111 0.3245 50 H 3.8556 -3.1771 0.6896 H 1 UNL1111111111 0.1519 51 H 4.7261 -2.8845 -0.8247 H 1 UNL1111111111 0.1522 52 H 3.3415 -3.9792 -0.7981 H 1 UNL1111111111 0.1447 53 H 5.0427 -1.2173 0.7917 H 1 UNL1111111111 0.1808 54 H -4.1149 1.6775 1.5664 H 1 UNL1111111111 0.1572 55 H -5.8460 1.1896 1.3690 H 1 UNL1111111111 0.1390 56 H 4.4037 3.0530 0.9802 H 1 UNL1111111111 0.1758 57 H -5.5041 2.9936 0.0500 H 1 UNL1111111111 0.3146 @BOND 1 1 10 1 2 1 48 1 3 2 12 1 4 2 49 1 5 3 20 2 6 4 25 1 7 4 57 1 8 5 27 2 9 6 7 1 10 6 10 1 11 6 11 1 12 6 18 1 13 7 8 1 14 7 13 1 15 7 28 1 16 8 9 1 17 8 16 1 18 8 29 1 19 9 12 1 20 9 14 1 21 9 30 1 22 10 15 1 23 10 20 1 24 11 12 1 25 11 31 1 26 11 32 1 27 12 33 1 28 13 15 1 29 13 34 1 30 13 35 1 31 14 19 1 32 14 21 1 33 14 22 1 34 15 36 1 35 15 37 1 36 16 17 1 37 16 38 1 38 16 39 1 39 17 19 1 40 17 23 1 41 17 40 1 42 18 41 1 43 18 42 1 44 18 43 1 45 19 24 2 46 20 25 1 47 21 44 1 48 21 45 1 49 21 46 1 50 22 26 2 51 22 47 1 52 23 50 1 53 23 51 1 54 23 52 1 55 24 27 1 56 24 53 1 57 25 54 1 58 25 55 1 59 26 27 1 60 26 56 1