@MOLECULE (3alpha,5alpha)-3-hydroxyestran-17-one 48 51 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.8740 1.1803 0.6330 O.2 1 UNL1111111111 -0.4529 2 O 4.9612 0.1240 1.2575 O.3 1 UNL1111111111 -0.5620 3 C -0.5463 -0.7989 -0.2694 C.3 1 UNL1111111111 -0.1160 4 C 0.2596 0.4329 0.2308 C.3 1 UNL1111111111 -0.1277 5 C -1.9417 -0.6938 0.3398 C.3 1 UNL1111111111 -0.1387 6 C 1.6855 0.3857 -0.3646 C.3 1 UNL1111111111 -0.1308 7 C -2.6657 0.5708 -0.1969 C.3 1 UNL1111111111 -0.0390 8 C 2.3777 -0.9319 0.0532 C.3 1 UNL1111111111 -0.0996 9 C -0.4548 1.7509 -0.1353 C.3 1 UNL1111111111 -0.2792 10 C 0.1494 -2.0962 0.1627 C.3 1 UNL1111111111 -0.2840 11 C -1.9233 1.7945 0.3280 C.3 1 UNL1111111111 -0.2719 12 C 1.5630 -2.1459 -0.4226 C.3 1 UNL1111111111 -0.2867 13 C -2.9592 -1.8281 0.1175 C.3 1 UNL1111111111 -0.2722 14 C 2.5284 1.5748 0.1289 C.3 1 UNL1111111111 -0.2782 15 C 3.7942 -1.0079 -0.5351 C.3 1 UNL1111111111 -0.3517 16 C -4.0773 0.3359 0.3374 C.2 1 UNL1111111111 0.4653 17 C -4.3160 -1.1625 0.4347 C.3 1 UNL1111111111 -0.3872 18 C -2.8166 0.6305 -1.7219 C.3 1 UNL1111111111 -0.4469 19 C 3.9496 1.5247 -0.4381 C.3 1 UNL1111111111 -0.3319 20 C 4.6467 0.1966 -0.1154 C.3 1 UNL1111111111 0.1696 21 H -0.6053 -0.7764 -1.3810 H 1 UNL1111111111 0.1414 22 H 0.3357 0.3742 1.3420 H 1 UNL1111111111 0.1369 23 H -1.8153 -0.5812 1.4493 H 1 UNL1111111111 0.1441 24 H 1.6169 0.4239 -1.4755 H 1 UNL1111111111 0.1383 25 H 2.4441 -0.9645 1.1669 H 1 UNL1111111111 0.1319 26 H -0.4028 1.9104 -1.2282 H 1 UNL1111111111 0.1391 27 H 0.0828 2.6040 0.3211 H 1 UNL1111111111 0.1381 28 H -0.4344 -2.9711 -0.1775 H 1 UNL1111111111 0.1372 29 H 0.1876 -2.1665 1.2653 H 1 UNL1111111111 0.1406 30 H -1.9757 1.8355 1.4322 H 1 UNL1111111111 0.1443 31 H -2.4073 2.7252 -0.0240 H 1 UNL1111111111 0.1514 32 H 2.0672 -3.0825 -0.1213 H 1 UNL1111111111 0.1384 33 H 1.5169 -2.1667 -1.5272 H 1 UNL1111111111 0.1387 34 H -2.7616 -2.6912 0.7698 H 1 UNL1111111111 0.1411 35 H -2.9239 -2.2050 -0.9166 H 1 UNL1111111111 0.1427 36 H 2.5563 1.5889 1.2340 H 1 UNL1111111111 0.1359 37 H 2.0543 2.5295 -0.1701 H 1 UNL1111111111 0.1397 38 H 4.2913 -1.9379 -0.1969 H 1 UNL1111111111 0.1531 39 H 3.7502 -1.0645 -1.6375 H 1 UNL1111111111 0.1463 40 H -4.6777 -1.4269 1.4437 H 1 UNL1111111111 0.1700 41 H -5.1118 -1.4763 -0.2609 H 1 UNL1111111111 0.1684 42 H -3.4372 1.4870 -2.0164 H 1 UNL1111111111 0.1559 43 H -1.8470 0.7459 -2.2200 H 1 UNL1111111111 0.1554 44 H -3.2816 -0.2751 -2.1261 H 1 UNL1111111111 0.1473 45 H 3.9272 1.6738 -1.5332 H 1 UNL1111111111 0.1447 46 H 4.5491 2.3594 -0.0248 H 1 UNL1111111111 0.1522 47 H 5.6611 0.1511 -0.5770 H 1 UNL1111111111 0.1335 48 H 4.1541 0.1636 1.8065 H 1 UNL1111111111 0.3150 @BOND 1 1 16 2 2 2 20 1 3 2 48 1 4 3 4 1 5 3 5 1 6 3 10 1 7 3 21 1 8 4 6 1 9 4 9 1 10 4 22 1 11 5 7 1 12 5 13 1 13 5 23 1 14 6 8 1 15 6 14 1 16 6 24 1 17 7 11 1 18 7 16 1 19 7 18 1 20 8 12 1 21 8 15 1 22 8 25 1 23 9 11 1 24 9 26 1 25 9 27 1 26 10 12 1 27 10 28 1 28 10 29 1 29 11 30 1 30 11 31 1 31 12 32 1 32 12 33 1 33 13 17 1 34 13 34 1 35 13 35 1 36 14 19 1 37 14 36 1 38 14 37 1 39 15 20 1 40 15 38 1 41 15 39 1 42 16 17 1 43 17 40 1 44 17 41 1 45 18 42 1 46 18 43 1 47 18 44 1 48 19 20 1 49 19 45 1 50 19 46 1 51 20 47 1