@MOLECULE 14,17-dihydroxyandrost-4-en-3-one 50 53 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.7181 -1.4440 0.9070 O.3 1 UNL1111111111 -0.5918 2 O 4.9058 -0.1238 -0.0632 O.3 1 UNL1111111111 -0.5677 3 O -5.6249 -0.3245 -1.0686 O.2 1 UNL1111111111 -0.4646 4 C 1.9468 -0.6195 0.0374 C.3 1 UNL1111111111 0.2789 5 C 2.6470 0.7674 0.1238 C.3 1 UNL1111111111 -0.0140 6 C 0.4946 -0.6332 0.5434 C.3 1 UNL1111111111 -0.1837 7 C -0.3394 0.4853 -0.1082 C.3 1 UNL1111111111 -0.1221 8 C -1.8101 0.4964 0.4082 C.3 1 UNL1111111111 0.0394 9 C 1.7495 1.8494 -0.4950 C.3 1 UNL1111111111 -0.2894 10 C 0.3488 1.8407 0.1241 C.3 1 UNL1111111111 -0.2805 11 C 2.1629 -1.1028 -1.4167 C.3 1 UNL1111111111 -0.3332 12 C 3.8971 0.5411 -0.7789 C.3 1 UNL1111111111 0.1529 13 C -0.1644 -1.9925 0.2802 C.3 1 UNL1111111111 -0.2704 14 C 3.4139 -0.3710 -1.9313 C.3 1 UNL1111111111 -0.3280 15 C -2.4061 -0.8944 0.3467 C.2 1 UNL1111111111 0.1085 16 C 3.0464 1.1409 1.5440 C.3 1 UNL1111111111 -0.4386 17 C -1.5695 -2.0130 0.8869 C.3 1 UNL1111111111 -0.2987 18 C -2.6105 1.4624 -0.5030 C.3 1 UNL1111111111 -0.2768 19 C -1.9066 0.9599 1.8711 C.3 1 UNL1111111111 -0.4527 20 C -4.1192 1.3425 -0.3071 C.3 1 UNL1111111111 -0.3831 21 C -3.6480 -1.1377 -0.0959 C.2 1 UNL1111111111 -0.3725 22 C -4.5609 -0.0802 -0.5509 C.2 1 UNL1111111111 0.4917 23 H 0.5392 -0.4580 1.6487 H 1 UNL1111111111 0.1626 24 H -0.3765 0.2914 -1.2092 H 1 UNL1111111111 0.1423 25 H 1.6737 1.7060 -1.5901 H 1 UNL1111111111 0.1433 26 H 2.2168 2.8428 -0.3535 H 1 UNL1111111111 0.1453 27 H 0.4156 2.0583 1.2070 H 1 UNL1111111111 0.1472 28 H -0.2511 2.6603 -0.3132 H 1 UNL1111111111 0.1387 29 H 1.2852 -0.8709 -2.0422 H 1 UNL1111111111 0.1491 30 H 2.2918 -2.1957 -1.4575 H 1 UNL1111111111 0.1441 31 H 4.3838 1.4730 -1.1152 H 1 UNL1111111111 0.1349 32 H 0.4408 -2.8099 0.7137 H 1 UNL1111111111 0.1354 33 H -0.2245 -2.1944 -0.8069 H 1 UNL1111111111 0.1471 34 H 4.2170 -1.0771 -2.2065 H 1 UNL1111111111 0.1607 35 H 3.1965 0.2149 -2.8363 H 1 UNL1111111111 0.1406 36 H 3.6251 2.0714 1.5615 H 1 UNL1111111111 0.1481 37 H 2.1732 1.2643 2.1924 H 1 UNL1111111111 0.1424 38 H 3.6784 0.3670 2.0060 H 1 UNL1111111111 0.1696 39 H -1.5106 -1.9219 1.9939 H 1 UNL1111111111 0.1611 40 H -2.0429 -2.9996 0.7019 H 1 UNL1111111111 0.1559 41 H -2.3632 1.2598 -1.5647 H 1 UNL1111111111 0.1474 42 H -2.2936 2.5057 -0.3145 H 1 UNL1111111111 0.1452 43 H -1.6834 2.0274 1.9711 H 1 UNL1111111111 0.1508 44 H -2.9141 0.8005 2.2742 H 1 UNL1111111111 0.1530 45 H -1.2062 0.4153 2.5141 H 1 UNL1111111111 0.1504 46 H 2.4768 -2.3821 0.8147 H 1 UNL1111111111 0.3189 47 H -4.6606 2.0338 -0.9845 H 1 UNL1111111111 0.1717 48 H -4.4173 1.6438 0.7173 H 1 UNL1111111111 0.1691 49 H -4.0668 -2.1426 -0.1390 H 1 UNL1111111111 0.1787 50 H 4.5108 -0.8748 0.4396 H 1 UNL1111111111 0.3431 @BOND 1 1 4 1 2 1 46 1 3 2 12 1 4 2 50 1 5 3 22 2 6 4 5 1 7 4 6 1 8 4 11 1 9 5 9 1 10 5 12 1 11 5 16 1 12 6 7 1 13 6 13 1 14 6 23 1 15 7 8 1 16 7 10 1 17 7 24 1 18 8 15 1 19 8 18 1 20 8 19 1 21 9 10 1 22 9 25 1 23 9 26 1 24 10 27 1 25 10 28 1 26 11 14 1 27 11 29 1 28 11 30 1 29 12 14 1 30 12 31 1 31 13 17 1 32 13 32 1 33 13 33 1 34 14 34 1 35 14 35 1 36 15 17 1 37 15 21 2 38 16 36 1 39 16 37 1 40 16 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 47 1 51 20 48 1 52 21 22 1 53 21 49 1