@MOLECULE (7alpha,14beta,17beta)-7,17-dihydroxyandrost-4-en-3-one 50 53 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.2326 0.6504 1.7582 O.3 1 UNL1111111111 -0.5589 2 O 0.0766 -2.3055 1.0205 O.3 1 UNL1111111111 -0.5502 3 O 5.5222 -0.1725 0.9690 O.2 1 UNL1111111111 -0.4585 4 C -2.0192 -0.5845 0.0738 C.3 1 UNL1111111111 -0.1283 5 C -2.7404 0.7642 -0.1837 C.3 1 UNL1111111111 0.0106 6 C -0.6248 -0.5823 -0.5482 C.3 1 UNL1111111111 -0.1904 7 C 0.1986 0.5305 0.1436 C.3 1 UNL1111111111 -0.1243 8 C 1.6561 0.5911 -0.4065 C.3 1 UNL1111111111 0.0336 9 C -1.9620 1.8587 0.5441 C.3 1 UNL1111111111 -0.2826 10 C -0.5094 1.8973 0.0352 C.3 1 UNL1111111111 -0.2786 11 C -4.1611 0.4547 0.3680 C.3 1 UNL1111111111 0.1409 12 C -3.0393 -1.6390 -0.3863 C.3 1 UNL1111111111 -0.2795 13 C 0.0521 -1.9459 -0.3403 C.3 1 UNL1111111111 0.1575 14 C -4.4058 -1.0353 0.0131 C.3 1 UNL1111111111 -0.3336 15 C 2.2835 -0.7879 -0.3801 C.2 1 UNL1111111111 0.0964 16 C 1.4744 -1.9273 -0.9145 C.3 1 UNL1111111111 -0.3733 17 C -2.8988 1.1175 -1.6683 C.3 1 UNL1111111111 -0.4580 18 C 2.4543 1.5615 0.5020 C.3 1 UNL1111111111 -0.2759 19 C 1.7071 1.0800 -1.8624 C.3 1 UNL1111111111 -0.4514 20 C 3.9617 1.4765 0.2798 C.3 1 UNL1111111111 -0.3817 21 C 3.5382 -1.0094 0.0384 C.2 1 UNL1111111111 -0.3630 22 C 4.4401 0.0611 0.4863 C.2 1 UNL1111111111 0.4887 23 H -1.8855 -0.7174 1.1806 H 1 UNL1111111111 0.1474 24 H -0.6945 -0.3813 -1.6403 H 1 UNL1111111111 0.1490 25 H 0.2612 0.2748 1.2317 H 1 UNL1111111111 0.1398 26 H -1.9824 1.6905 1.6373 H 1 UNL1111111111 0.1484 27 H -2.4432 2.8427 0.3952 H 1 UNL1111111111 0.1450 28 H -0.4995 2.2472 -1.0136 H 1 UNL1111111111 0.1415 29 H 0.0499 2.6567 0.6135 H 1 UNL1111111111 0.1378 30 H -4.9448 1.1387 -0.0066 H 1 UNL1111111111 0.1393 31 H -2.8646 -2.6115 0.0994 H 1 UNL1111111111 0.1460 32 H -2.9799 -1.8151 -1.4708 H 1 UNL1111111111 0.1353 33 H -0.5559 -2.7696 -0.7827 H 1 UNL1111111111 0.1439 34 H -4.8414 -1.5620 0.8785 H 1 UNL1111111111 0.1552 35 H -5.1378 -1.1303 -0.8015 H 1 UNL1111111111 0.1429 36 H 1.4352 -1.8636 -2.0223 H 1 UNL1111111111 0.1686 37 H 1.9590 -2.9044 -0.6952 H 1 UNL1111111111 0.1744 38 H -3.4454 2.0598 -1.7885 H 1 UNL1111111111 0.1458 39 H -1.9313 1.2396 -2.1660 H 1 UNL1111111111 0.1474 40 H -3.4471 0.3421 -2.2143 H 1 UNL1111111111 0.1475 41 H 2.2290 1.3450 1.5660 H 1 UNL1111111111 0.1480 42 H 2.1138 2.6004 0.3287 H 1 UNL1111111111 0.1477 43 H 1.4321 2.1374 -1.9420 H 1 UNL1111111111 0.1514 44 H 1.0242 0.5139 -2.5038 H 1 UNL1111111111 0.1470 45 H 2.7152 0.9756 -2.2822 H 1 UNL1111111111 0.1537 46 H 4.4989 2.1669 0.9620 H 1 UNL1111111111 0.1730 47 H 4.2367 1.8055 -0.7427 H 1 UNL1111111111 0.1688 48 H 3.9801 -2.0063 0.0602 H 1 UNL1111111111 0.1808 49 H -3.5985 0.0740 2.2289 H 1 UNL1111111111 0.3160 50 H 0.7144 -1.7595 1.5234 H 1 UNL1111111111 0.3185 @BOND 1 1 11 1 2 1 49 1 3 2 13 1 4 2 50 1 5 3 22 2 6 4 5 1 7 4 6 1 8 4 12 1 9 4 23 1 10 5 9 1 11 5 11 1 12 5 17 1 13 6 7 1 14 6 13 1 15 6 24 1 16 7 8 1 17 7 10 1 18 7 25 1 19 8 15 1 20 8 18 1 21 8 19 1 22 9 10 1 23 9 26 1 24 9 27 1 25 10 28 1 26 10 29 1 27 11 14 1 28 11 30 1 29 12 14 1 30 12 31 1 31 12 32 1 32 13 16 1 33 13 33 1 34 14 34 1 35 14 35 1 36 15 16 1 37 15 21 2 38 16 36 1 39 16 37 1 40 17 38 1 41 17 39 1 42 17 40 1 43 18 20 1 44 18 41 1 45 18 42 1 46 19 43 1 47 19 44 1 48 19 45 1 49 20 22 1 50 20 46 1 51 20 47 1 52 21 22 1 53 21 48 1