@MOLECULE estra-1,3,5,7,9-pentaene-3,17.beta.-diol 40 43 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.8390 -1.0641 0.6823 O.3 1 UNL111111111 -0.5567 2 O 5.8095 -0.1972 0.3875 O.3 1 UNL111111111 -0.4741 3 C -2.4993 -0.5686 0.0431 C.3 1 UNL111111111 0.0238 4 C -1.9099 0.7096 -0.6194 C.3 1 UNL111111111 -0.1374 5 C -4.0183 -0.3533 -0.2022 C.3 1 UNL111111111 0.1400 6 C -2.8365 1.8349 -0.1305 C.3 1 UNL111111111 -0.2719 7 C -1.8870 -1.7616 -0.6872 C.3 1 UNL111111111 -0.2858 8 C -4.2340 1.1788 -0.0853 C.3 1 UNL111111111 -0.3320 9 C -0.4442 0.7857 -0.3654 C.ar 1 UNL111111111 -0.0490 10 C -0.3469 -1.7330 -0.5877 C.3 1 UNL111111111 -0.2749 11 C -2.2175 -0.6551 1.5447 C.3 1 UNL111111111 -0.4569 12 C 0.2923 -0.3841 -0.3903 C.ar 1 UNL111111111 0.0142 13 C 0.1839 2.0344 -0.1499 C.ar 1 UNL111111111 -0.1287 14 C 1.7064 -0.3273 -0.1984 C.ar 1 UNL111111111 -0.0918 15 C 2.3260 0.9247 0.0257 C.ar 1 UNL111111111 0.0708 16 C 1.5375 2.1060 0.0464 C.ar 1 UNL111111111 -0.1931 17 C 2.5231 -1.4978 -0.2233 C.ar 1 UNL111111111 -0.0925 18 C 3.7307 1.0004 0.2293 C.ar 1 UNL111111111 -0.3403 19 C 3.8749 -1.4309 -0.0283 C.ar 1 UNL111111111 -0.2243 20 C 4.4647 -0.1588 0.2008 C.ar 1 UNL111111111 0.2971 21 H -2.0397 0.6276 -1.7346 H 1 UNL111111111 0.1534 22 H -4.3466 -0.7523 -1.1846 H 1 UNL111111111 0.1387 23 H -2.8152 2.7065 -0.8009 H 1 UNL111111111 0.1375 24 H -2.5331 2.1969 0.8656 H 1 UNL111111111 0.1438 25 H -2.1952 -1.7597 -1.7496 H 1 UNL111111111 0.1392 26 H -2.2745 -2.7101 -0.2699 H 1 UNL111111111 0.1491 27 H -4.7658 1.4249 0.8467 H 1 UNL111111111 0.1472 28 H -4.8747 1.5432 -0.9023 H 1 UNL111111111 0.1447 29 H 0.0727 -2.1989 -1.5054 H 1 UNL111111111 0.1524 30 H -0.0446 -2.3895 0.2589 H 1 UNL111111111 0.1539 31 H -2.6543 0.1867 2.0918 H 1 UNL111111111 0.1432 32 H -2.6086 -1.5884 1.9663 H 1 UNL111111111 0.1484 33 H -1.1389 -0.6350 1.7513 H 1 UNL111111111 0.1631 34 H -0.4248 2.9375 -0.1427 H 1 UNL111111111 0.1535 35 H -4.6675 -0.8234 1.6137 H 1 UNL111111111 0.3166 36 H 2.0273 3.0619 0.2180 H 1 UNL111111111 0.1570 37 H 2.0558 -2.4665 -0.4033 H 1 UNL111111111 0.1544 38 H 4.1905 1.9660 0.4019 H 1 UNL111111111 0.1642 39 H 4.5137 -2.3110 -0.0426 H 1 UNL111111111 0.1756 40 H 6.1907 0.7003 0.5435 H 1 UNL111111111 0.3275 @BOND 1 1 5 1 2 1 35 1 3 2 20 1 4 2 40 1 5 3 4 1 6 3 5 1 7 3 7 1 8 3 11 1 9 4 6 1 10 4 9 1 11 4 21 1 12 5 8 1 13 5 22 1 14 6 8 1 15 6 23 1 16 6 24 1 17 7 10 1 18 7 25 1 19 7 26 1 20 8 27 1 21 8 28 1 22 9 12 ar 23 9 13 ar 24 10 12 1 25 10 29 1 26 10 30 1 27 11 31 1 28 11 32 1 29 11 33 1 30 12 14 ar 31 13 16 ar 32 13 34 1 33 14 15 ar 34 14 17 ar 35 15 16 ar 36 15 18 ar 37 16 36 1 38 17 19 ar 39 17 37 1 40 18 20 ar 41 18 38 1 42 19 20 ar 43 19 39 1