@MOLECULE (3beta,17beta)-estr-5(10)-ene-3,17-diol 48 51 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.7899 -1.2234 0.5061 O.3 1 UNL1111111111 -0.5582 2 O 4.4250 -0.7975 1.5349 O.3 1 UNL1111111111 -0.5627 3 C -1.9095 0.7385 -0.4290 C.3 1 UNL1111111111 -0.1486 4 C -2.5140 -0.6016 0.0833 C.3 1 UNL1111111111 0.0545 5 C -0.4486 0.8450 -0.0033 C.3 1 UNL1111111111 -0.1123 6 C 0.3223 -0.2907 -0.7327 C.3 1 UNL1111111111 -0.1235 7 C -1.7863 -1.7453 -0.6284 C.3 1 UNL1111111111 -0.2899 8 C -3.9998 -0.3988 -0.3234 C.3 1 UNL1111111111 0.1291 9 C -2.9086 1.8006 0.0543 C.3 1 UNL1111111111 -0.2705 10 C -0.2715 -1.6651 -0.3559 C.3 1 UNL1111111111 -0.2710 11 C -4.2855 1.1062 -0.0733 C.3 1 UNL1111111111 -0.3351 12 C 0.1788 2.1878 -0.3882 C.3 1 UNL1111111111 -0.2813 13 C 1.7986 -0.1837 -0.4526 C.2 1 UNL1111111111 -0.0638 14 C -2.4412 -0.7894 1.6011 C.3 1 UNL1111111111 -0.4400 15 C 1.6072 2.2405 0.1655 C.3 1 UNL1111111111 -0.2784 16 C 2.3690 0.9674 -0.0654 C.2 1 UNL1111111111 -0.0298 17 C 2.5946 -1.4321 -0.6896 C.3 1 UNL1111111111 -0.2693 18 C 3.8386 1.1207 0.1850 C.3 1 UNL1111111111 -0.3493 19 C 4.0975 -1.1727 -0.8331 C.3 1 UNL1111111111 -0.3278 20 C 4.5870 -0.2174 0.2601 C.3 1 UNL1111111111 0.1751 21 H -1.9402 0.7375 -1.5487 H 1 UNL1111111111 0.1364 22 H -0.3575 0.7077 1.0989 H 1 UNL1111111111 0.1492 23 H 0.1887 -0.1500 -1.8377 H 1 UNL1111111111 0.1447 24 H -1.9759 -1.7103 -1.7159 H 1 UNL1111111111 0.1333 25 H -2.1803 -2.7198 -0.2835 H 1 UNL1111111111 0.1484 26 H -4.1913 -0.6932 -1.3736 H 1 UNL1111111111 0.1088 27 H -2.8560 2.7190 -0.5474 H 1 UNL1111111111 0.1333 28 H -2.7049 2.0959 1.0960 H 1 UNL1111111111 0.1424 29 H -0.0696 -1.8755 0.7106 H 1 UNL1111111111 0.1438 30 H 0.2312 -2.4661 -0.9286 H 1 UNL1111111111 0.1341 31 H -4.8745 1.2316 0.8497 H 1 UNL1111111111 0.1511 32 H -4.8772 1.5410 -0.8900 H 1 UNL1111111111 0.1345 33 H -0.4188 3.0261 0.0121 H 1 UNL1111111111 0.1382 34 H 0.1849 2.3126 -1.4861 H 1 UNL1111111111 0.1396 35 H -2.9467 0.0243 2.1322 H 1 UNL1111111111 0.1470 36 H -2.9491 -1.7192 1.8946 H 1 UNL1111111111 0.1607 37 H -1.4117 -0.8415 1.9663 H 1 UNL1111111111 0.1418 38 H 1.5759 2.4473 1.2566 H 1 UNL1111111111 0.1489 39 H 2.1478 3.0965 -0.2867 H 1 UNL1111111111 0.1431 40 H 2.4191 -2.1434 0.1467 H 1 UNL1111111111 0.1494 41 H 2.2306 -1.9482 -1.6030 H 1 UNL1111111111 0.1467 42 H 4.2834 1.7484 -0.6143 H 1 UNL1111111111 0.1546 43 H 4.0104 1.6744 1.1333 H 1 UNL1111111111 0.1631 44 H -5.7379 -1.0634 0.3483 H 1 UNL1111111111 0.3091 45 H 4.6537 -2.1270 -0.7729 H 1 UNL1111111111 0.1502 46 H 4.3187 -0.7431 -1.8273 H 1 UNL1111111111 0.1462 47 H 5.6907 -0.0717 0.2161 H 1 UNL1111111111 0.1327 48 H 3.4765 -0.9196 1.7427 H 1 UNL1111111111 0.3214 @BOND 1 1 8 1 2 1 44 1 3 2 20 1 4 2 48 1 5 3 4 1 6 3 5 1 7 3 9 1 8 3 21 1 9 4 7 1 10 4 8 1 11 4 14 1 12 5 6 1 13 5 12 1 14 5 22 1 15 6 10 1 16 6 13 1 17 6 23 1 18 7 10 1 19 7 24 1 20 7 25 1 21 8 11 1 22 8 26 1 23 9 11 1 24 9 27 1 25 9 28 1 26 10 29 1 27 10 30 1 28 11 31 1 29 11 32 1 30 12 15 1 31 12 33 1 32 12 34 1 33 13 16 2 34 13 17 1 35 14 35 1 36 14 36 1 37 14 37 1 38 15 16 1 39 15 38 1 40 15 39 1 41 16 18 1 42 17 19 1 43 17 40 1 44 17 41 1 45 18 20 1 46 18 42 1 47 18 43 1 48 19 20 1 49 19 45 1 50 19 46 1 51 20 47 1