@MOLECULE 4-hydroxy-estradiol 45 48 0 0 0 SMALL GASTEIGER @ATOM 1 O -5.1459 0.9098 -0.6259 O.3 1 UNL1111111111 -0.5572 2 O 4.1408 -1.7818 -0.4860 O.3 1 UNL1111111111 -0.4559 3 O 5.5809 0.5266 -0.4033 O.3 1 UNL1111111111 -0.4939 4 C -2.8299 0.5449 -0.1293 C.3 1 UNL1111111111 0.0531 5 C -2.1152 -0.6921 0.4894 C.3 1 UNL1111111111 -0.1502 6 C -0.6494 -0.7113 0.0692 C.3 1 UNL1111111111 -0.1099 7 C 0.0258 0.5439 0.6868 C.3 1 UNL1111111111 -0.1158 8 C -4.2970 0.2482 0.2883 C.3 1 UNL1111111111 0.1281 9 C -2.2087 1.7981 0.4924 C.3 1 UNL1111111111 -0.2952 10 C -3.0166 -1.8729 0.1003 C.3 1 UNL1111111111 -0.2713 11 C -0.6927 1.8297 0.2226 C.3 1 UNL1111111111 -0.2697 12 C -4.4480 -1.2933 0.1837 C.3 1 UNL1111111111 -0.3356 13 C 0.0781 -1.9617 0.5731 C.3 1 UNL1111111111 -0.2817 14 C -2.7587 0.6165 -1.6570 C.3 1 UNL1111111111 -0.4418 15 C 1.4985 0.5585 0.3689 C.ar 1 UNL1111111111 -0.0185 16 C 1.4985 -1.9749 0.0040 C.3 1 UNL1111111111 -0.2586 17 C 2.1661 -0.6395 0.0741 C.ar 1 UNL1111111111 -0.0416 18 C 2.2175 1.7553 0.4218 C.ar 1 UNL1111111111 -0.1724 19 C 3.5396 -0.5985 -0.1896 C.ar 1 UNL1111111111 0.1655 20 C 3.5869 1.7980 0.1639 C.ar 1 UNL1111111111 -0.2374 21 C 4.2426 0.6141 -0.1431 C.ar 1 UNL1111111111 0.1358 22 H -2.1503 -0.5998 1.6053 H 1 UNL1111111111 0.1362 23 H -0.5667 -0.6687 -1.0418 H 1 UNL1111111111 0.1514 24 H -0.0699 0.4783 1.8029 H 1 UNL1111111111 0.1484 25 H -4.5291 0.6248 1.3030 H 1 UNL1111111111 0.1082 26 H -2.4001 1.8291 1.5799 H 1 UNL1111111111 0.1339 27 H -2.6848 2.7058 0.0760 H 1 UNL1111111111 0.1482 28 H -2.8835 -2.7324 0.7732 H 1 UNL1111111111 0.1339 29 H -2.7893 -2.2320 -0.9159 H 1 UNL1111111111 0.1432 30 H -0.5061 1.9858 -0.8569 H 1 UNL1111111111 0.1479 31 H -0.2620 2.7090 0.7374 H 1 UNL1111111111 0.1338 32 H -5.0297 -1.5557 -0.7151 H 1 UNL1111111111 0.1519 33 H -4.9939 -1.6998 1.0456 H 1 UNL1111111111 0.1348 34 H -0.4627 -2.8757 0.2679 H 1 UNL1111111111 0.1392 35 H 0.1035 -1.9776 1.6779 H 1 UNL1111111111 0.1404 36 H -3.3354 1.4769 -2.0254 H 1 UNL1111111111 0.1608 37 H -1.7334 0.7200 -2.0232 H 1 UNL1111111111 0.1427 38 H -3.1954 -0.2742 -2.1215 H 1 UNL1111111111 0.1485 39 H 1.4834 -2.3142 -1.0561 H 1 UNL1111111111 0.1590 40 H 2.1140 -2.7343 0.5358 H 1 UNL1111111111 0.1622 41 H -6.0808 0.7094 -0.4314 H 1 UNL1111111111 0.3088 42 H 1.7091 2.6852 0.6733 H 1 UNL1111111111 0.1571 43 H 4.1253 2.7390 0.2068 H 1 UNL1111111111 0.1582 44 H 5.1079 -1.6445 -0.6673 H 1 UNL1111111111 0.3398 45 H 5.9983 1.4186 -0.4474 H 1 UNL1111111111 0.3357 @BOND 1 1 8 1 2 1 41 1 3 2 19 1 4 2 44 1 5 3 21 1 6 3 45 1 7 4 5 1 8 4 8 1 9 4 9 1 10 4 14 1 11 5 6 1 12 5 10 1 13 5 22 1 14 6 7 1 15 6 13 1 16 6 23 1 17 7 11 1 18 7 15 1 19 7 24 1 20 8 12 1 21 8 25 1 22 9 11 1 23 9 26 1 24 9 27 1 25 10 12 1 26 10 28 1 27 10 29 1 28 11 30 1 29 11 31 1 30 12 32 1 31 12 33 1 32 13 16 1 33 13 34 1 34 13 35 1 35 14 36 1 36 14 37 1 37 14 38 1 38 15 17 ar 39 15 18 ar 40 16 17 1 41 16 39 1 42 16 40 1 43 17 19 ar 44 18 20 ar 45 18 42 1 46 19 21 ar 47 20 21 ar 48 20 43 1