@MOLECULE deflazacort 60 64 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.0692 -3.2432 0.4386 O.2 1 UNL111111 -0.3990 2 O 1.0428 2.1333 -1.3141 O.3 1 UNL111111 -0.5677 3 O -4.2736 -0.9403 -1.2345 O.2 1 UNL111111 -0.3982 4 O -5.1221 1.2142 0.1103 O.3 1 UNL111111 -0.3704 5 O 6.8017 0.6393 2.0852 O.2 1 UNL111111 -0.4556 6 O -4.7242 3.3296 0.8068 O.2 1 UNL111111 -0.4894 7 N -2.2513 -1.1511 1.2857 N.2 1 UNL111111 -0.5342 8 C -0.8666 -0.1517 -0.6216 C.3 1 UNL111111 0.0887 9 C 0.2155 -1.2619 -0.4861 C.3 1 UNL111111 -0.1452 10 C 1.5842 -0.7957 -0.9784 C.3 1 UNL111111 -0.1123 11 C -2.1381 -0.9398 -0.1679 C.3 1 UNL111111 0.0017 12 C 2.0265 0.3723 -0.0596 C.3 1 UNL111111 -0.1520 13 C -0.4259 -2.4902 -1.1515 C.3 1 UNL111111 -0.3253 14 C -0.4507 1.0215 0.2635 C.3 1 UNL111111 -0.3578 15 C -1.8963 -2.4071 -0.7226 C.3 1 UNL111111 0.0891 16 C 0.9808 1.5079 -0.0463 C.3 1 UNL111111 0.1621 17 C 3.4684 0.8559 -0.4072 C.3 1 UNL111111 0.0258 18 C 2.5798 -1.9587 -0.8640 C.3 1 UNL111111 -0.2781 19 C -1.0698 0.3016 -2.0697 C.3 1 UNL111111 -0.4752 20 C 4.0035 -1.5061 -1.1979 C.3 1 UNL111111 -0.2980 21 C 4.3764 -0.3521 -0.3222 C.2 1 UNL111111 0.0988 22 C -3.4754 -0.3268 -0.5822 C.2 1 UNL111111 0.4364 23 C 3.5980 1.4495 -1.8219 C.3 1 UNL111111 -0.4361 24 C 3.8775 1.9465 0.5497 C.2 1 UNL111111 -0.0898 25 C -2.2284 -2.4248 1.5331 C.2 1 UNL111111 0.4448 26 C 5.4473 -0.4156 0.4821 C.2 1 UNL111111 -0.3599 27 C -3.7114 1.0668 -0.0429 C.3 1 UNL111111 -0.1300 28 C 4.9517 1.8816 1.3410 C.2 1 UNL111111 -0.2978 29 C -2.3828 -3.1450 2.8072 C.3 1 UNL111111 -0.4568 30 C 5.8279 0.6932 1.3680 C.2 1 UNL111111 0.4792 31 C -5.5130 2.4313 0.5833 C.2 1 UNL111111 0.3034 32 C -6.9520 2.5191 0.7725 C.3 1 UNL111111 0.3223 33 H 0.3234 -1.4994 0.6081 H 1 UNL111111 0.1507 34 H 1.5308 -0.4399 -2.0327 H 1 UNL111111 0.1574 35 H 2.0706 -0.0249 0.9900 H 1 UNL111111 0.1513 36 H -0.3175 -2.4739 -2.2470 H 1 UNL111111 0.1577 37 H 0.0355 -3.4329 -0.8079 H 1 UNL111111 0.1628 38 H -0.5142 0.7205 1.3323 H 1 UNL111111 0.1782 39 H -1.1547 1.8674 0.1619 H 1 UNL111111 0.1488 40 H -2.6366 -2.7629 -1.4548 H 1 UNL111111 0.1687 41 H 1.2632 2.2844 0.7073 H 1 UNL111111 0.1144 42 H 2.2775 -2.7814 -1.5389 H 1 UNL111111 0.1431 43 H 2.5546 -2.3782 0.1604 H 1 UNL111111 0.1465 44 H -1.4866 -0.4913 -2.7012 H 1 UNL111111 0.1525 45 H -1.7358 1.1692 -2.1476 H 1 UNL111111 0.1436 46 H -0.1119 0.6004 -2.5227 H 1 UNL111111 0.1815 47 H 4.0812 -1.2162 -2.2666 H 1 UNL111111 0.1593 48 H 4.7052 -2.3563 -1.0712 H 1 UNL111111 0.1542 49 H 3.1033 0.8237 -2.5705 H 1 UNL111111 0.1539 50 H 3.1234 2.4377 -1.8909 H 1 UNL111111 0.1718 51 H 4.6507 1.5669 -2.1070 H 1 UNL111111 0.1486 52 H 3.2405 2.8340 0.5225 H 1 UNL111111 0.1548 53 H 0.3115 2.7705 -1.4216 H 1 UNL111111 0.3156 54 H 6.0954 -1.2892 0.5320 H 1 UNL111111 0.1787 55 H -3.3361 1.8417 -0.7391 H 1 UNL111111 0.1617 56 H -3.2357 1.2022 0.9540 H 1 UNL111111 0.1842 57 H 5.2530 2.6939 2.0013 H 1 UNL111111 0.1764 58 H -2.5561 -2.4493 3.6482 H 1 UNL111111 0.1897 59 H -1.4912 -3.7467 3.0476 H 1 UNL111111 0.1828 60 H -3.2379 -3.8429 2.7665 H 1 UNL111111 0.1876 @BOND 1 32 31 1 2 31 6 2 3 31 4 1 4 4 27 1 5 55 27 1 6 3 22 2 7 27 22 1 8 27 56 1 9 22 11 1 10 45 19 1 11 44 19 1 12 19 46 1 13 19 8 1 14 40 15 1 15 39 14 1 16 11 15 1 17 11 8 1 18 11 7 1 19 53 2 1 20 15 1 1 21 15 13 1 22 8 14 1 23 8 9 1 24 7 25 2 25 14 38 1 26 14 16 1 27 1 25 1 28 2 16 1 29 25 29 1 30 36 13 1 31 60 29 1 32 13 9 1 33 13 37 1 34 58 29 1 35 29 59 1 36 16 41 1 37 16 12 1 38 9 33 1 39 9 10 1 40 34 10 1 41 50 23 1 42 10 12 1 43 10 18 1 44 49 23 1 45 12 35 1 46 12 17 1 47 23 17 1 48 23 51 1 49 52 24 1 50 42 18 1 51 17 24 1 52 17 21 1 53 18 43 1 54 18 20 1 55 24 28 2 56 47 20 1 57 20 21 1 58 20 48 1 59 21 26 2 60 28 57 1 61 28 30 1 62 26 30 1 63 26 54 1 64 30 5 2