@MOLECULE 17beta-trenbolone 42 45 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.8372 -1.2679 0.4687 O.3 1 UNL1111111111 -0.5524 2 O 5.6140 -0.3341 0.7267 O.2 1 UNL1111111111 -0.4695 3 C -1.9011 0.7448 -0.3834 C.3 1 UNL1111111111 -0.1379 4 C -2.4779 -0.6124 0.1178 C.3 1 UNL1111111111 -0.0124 5 C -0.4427 0.8783 0.0433 C.3 1 UNL1111111111 -0.1280 6 C -3.9749 -0.4412 -0.2589 C.3 1 UNL1111111111 0.1498 7 C -2.9168 1.7821 0.1119 C.3 1 UNL1111111111 -0.2758 8 C -4.2777 1.0631 -0.0250 C.3 1 UNL1111111111 -0.3313 9 C 0.3380 -0.3359 -0.4253 C.2 1 UNL1111111111 0.0137 10 C 0.2061 2.1347 -0.5581 C.3 1 UNL1111111111 -0.2729 11 C -1.7211 -1.6887 -0.5885 C.2 1 UNL1111111111 -0.1269 12 C -2.3278 -0.8432 1.6262 C.3 1 UNL1111111111 -0.4479 13 C -0.4076 -1.5292 -0.8200 C.2 1 UNL1111111111 -0.1989 14 C 1.6860 -0.2583 -0.4537 C.2 1 UNL1111111111 -0.0875 15 C 1.6410 2.2632 -0.0390 C.3 1 UNL1111111111 -0.2994 16 C 2.3859 0.9606 -0.0376 C.2 1 UNL1111111111 0.1221 17 C 2.5889 -1.3680 -0.9023 C.3 1 UNL1111111111 -0.2557 18 C 3.6714 0.9289 0.3606 C.2 1 UNL1111111111 -0.3667 19 C 3.7081 -1.6026 0.1156 C.3 1 UNL1111111111 -0.3737 20 C 4.4443 -0.3186 0.4218 C.2 1 UNL1111111111 0.4935 21 H -1.9302 0.7429 -1.5045 H 1 UNL1111111111 0.1486 22 H -0.3808 0.9377 1.1595 H 1 UNL1111111111 0.1577 23 H -4.1797 -0.7593 -1.3031 H 1 UNL1111111111 0.1432 24 H -2.8820 2.7083 -0.4808 H 1 UNL1111111111 0.1387 25 H -2.7195 2.0753 1.1553 H 1 UNL1111111111 0.1408 26 H -4.8983 1.1986 0.8742 H 1 UNL1111111111 0.1475 27 H -4.8652 1.4734 -0.8603 H 1 UNL1111111111 0.1470 28 H -0.3807 3.0342 -0.2994 H 1 UNL1111111111 0.1423 29 H 0.1997 2.0725 -1.6632 H 1 UNL1111111111 0.1484 30 H -2.2748 -2.5783 -0.8718 H 1 UNL1111111111 0.1581 31 H -1.2717 -0.9128 1.9179 H 1 UNL1111111111 0.1578 32 H -2.7771 -0.0329 2.2088 H 1 UNL1111111111 0.1464 33 H -2.7971 -1.7908 1.9230 H 1 UNL1111111111 0.1553 34 H 0.1617 -2.3088 -1.3289 H 1 UNL1111111111 0.1567 35 H 1.6290 2.6761 0.9941 H 1 UNL1111111111 0.1616 36 H 2.1943 3.0114 -0.6465 H 1 UNL1111111111 0.1625 37 H -4.7981 -1.0854 1.4286 H 1 UNL1111111111 0.3165 38 H 2.0386 -2.3155 -1.0678 H 1 UNL1111111111 0.1494 39 H 3.0241 -1.1040 -1.8919 H 1 UNL1111111111 0.1573 40 H 4.2149 1.8214 0.6637 H 1 UNL1111111111 0.1779 41 H 4.4180 -2.3712 -0.2497 H 1 UNL1111111111 0.1715 42 H 3.2949 -2.0068 1.0634 H 1 UNL1111111111 0.1725 @BOND 1 1 6 1 2 1 37 1 3 2 20 2 4 3 4 1 5 3 5 1 6 3 7 1 7 3 21 1 8 4 6 1 9 4 11 1 10 4 12 1 11 5 9 1 12 5 10 1 13 5 22 1 14 6 8 1 15 6 23 1 16 7 8 1 17 7 24 1 18 7 25 1 19 8 26 1 20 8 27 1 21 9 13 1 22 9 14 2 23 10 15 1 24 10 28 1 25 10 29 1 26 11 13 2 27 11 30 1 28 12 31 1 29 12 32 1 30 12 33 1 31 13 34 1 32 14 16 1 33 14 17 1 34 15 16 1 35 15 35 1 36 15 36 1 37 16 18 2 38 17 19 1 39 17 38 1 40 17 39 1 41 18 20 1 42 18 40 1 43 19 20 1 44 19 41 1 45 19 42 1