@MOLECULE (3beta,15alpha)-3,15-dihydroxyandrost-5-en-17-one 50 53 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.8327 2.6681 0.5540 O.3 1 UNL1111111111 -0.5609 2 O 4.8214 -1.4480 0.6570 O.2 1 UNL1111111111 -0.4418 3 O -5.9342 0.1618 0.2341 O.3 1 UNL1111111111 -0.5752 4 C -0.3044 -0.4999 0.3582 C.3 1 UNL1111111111 -0.1324 5 C 0.5362 0.6062 -0.3294 C.3 1 UNL1111111111 -0.1040 6 C 1.9594 0.5077 0.2089 C.3 1 UNL1111111111 -0.1760 7 C 2.5907 -0.8632 -0.1337 C.3 1 UNL1111111111 -0.0376 8 C -1.7600 -0.4938 -0.2053 C.3 1 UNL1111111111 0.0654 9 C 0.3453 -1.8956 0.2499 C.3 1 UNL1111111111 -0.2786 10 C 1.8304 -1.9232 0.6554 C.3 1 UNL1111111111 -0.2712 11 C 3.0139 1.5297 -0.2608 C.3 1 UNL1111111111 0.1609 12 C -0.0546 1.9819 0.0156 C.3 1 UNL1111111111 -0.2855 13 C -2.3050 0.9175 -0.2162 C.2 1 UNL1111111111 -0.0218 14 C -2.6197 -1.3921 0.7212 C.3 1 UNL1111111111 -0.2889 15 C 4.0489 -0.6259 0.2565 C.2 1 UNL1111111111 0.4685 16 C 4.3692 0.8435 0.0449 C.3 1 UNL1111111111 -0.4634 17 C 2.6228 -1.1965 -1.6300 C.3 1 UNL1111111111 -0.4500 18 C -1.5350 2.0090 -0.1281 C.2 1 UNL1111111111 -0.1981 19 C -1.8131 -1.0215 -1.6497 C.3 1 UNL1111111111 -0.4561 20 C -3.7851 1.0676 -0.4031 C.3 1 UNL1111111111 -0.3507 21 C -4.1173 -1.2895 0.4377 C.3 1 UNL1111111111 -0.2987 22 C -4.5563 0.1701 0.5756 C.3 1 UNL1111111111 0.1763 23 H -0.3659 -0.2376 1.4444 H 1 UNL1111111111 0.1425 24 H 0.5195 0.4651 -1.4320 H 1 UNL1111111111 0.1406 25 H 1.9021 0.6098 1.3290 H 1 UNL1111111111 0.1698 26 H 0.2496 -2.2789 -0.7834 H 1 UNL1111111111 0.1425 27 H -0.2116 -2.6080 0.8879 H 1 UNL1111111111 0.1375 28 H 1.9383 -1.7507 1.7427 H 1 UNL1111111111 0.1457 29 H 2.2575 -2.9278 0.4732 H 1 UNL1111111111 0.1511 30 H 2.9036 1.8287 -1.3188 H 1 UNL1111111111 0.1194 31 H 0.4182 2.7588 -0.6203 H 1 UNL1111111111 0.1521 32 H 0.2242 2.2708 1.0543 H 1 UNL1111111111 0.1646 33 H -2.4263 -1.1172 1.7767 H 1 UNL1111111111 0.1421 34 H -2.2990 -2.4453 0.6161 H 1 UNL1111111111 0.1414 35 H 4.8288 1.2688 0.9574 H 1 UNL1111111111 0.1892 36 H 5.1096 0.9741 -0.7578 H 1 UNL1111111111 0.1718 37 H 3.1514 -2.1429 -1.8052 H 1 UNL1111111111 0.1575 38 H 1.6115 -1.3108 -2.0395 H 1 UNL1111111111 0.1607 39 H 3.1220 -0.4202 -2.2189 H 1 UNL1111111111 0.1442 40 H -1.9635 3.0098 -0.1493 H 1 UNL1111111111 0.1443 41 H -1.5178 -2.0731 -1.7107 H 1 UNL1111111111 0.1442 42 H -2.8276 -0.9500 -2.0597 H 1 UNL1111111111 0.1514 43 H -1.1554 -0.4434 -2.3073 H 1 UNL1111111111 0.1468 44 H -4.1055 2.1200 -0.2852 H 1 UNL1111111111 0.1433 45 H -4.0587 0.7949 -1.4454 H 1 UNL1111111111 0.1661 46 H -4.3638 -1.6641 -0.5739 H 1 UNL1111111111 0.1565 47 H -4.6963 -1.9261 1.1333 H 1 UNL1111111111 0.1507 48 H -4.4632 0.5338 1.6216 H 1 UNL1111111111 0.1149 49 H 3.4976 3.3529 0.3533 H 1 UNL1111111111 0.3158 50 H -6.3047 1.0614 0.2479 H 1 UNL1111111111 0.3132 @BOND 1 1 11 1 2 1 49 1 3 2 15 2 4 3 22 1 5 3 50 1 6 4 5 1 7 4 8 1 8 4 9 1 9 4 23 1 10 5 6 1 11 5 12 1 12 5 24 1 13 6 7 1 14 6 11 1 15 6 25 1 16 7 10 1 17 7 15 1 18 7 17 1 19 8 13 1 20 8 14 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 16 1 28 11 30 1 29 12 18 1 30 12 31 1 31 12 32 1 32 13 18 2 33 13 20 1 34 14 21 1 35 14 33 1 36 14 34 1 37 15 16 1 38 16 35 1 39 16 36 1 40 17 37 1 41 17 38 1 42 17 39 1 43 18 40 1 44 19 41 1 45 19 42 1 46 19 43 1 47 20 22 1 48 20 44 1 49 20 45 1 50 21 22 1 51 21 46 1 52 21 47 1 53 22 48 1