@MOLECULE (17beta)-4-methoxyestra-1,3,5(10)-triene-3,17-diol 48 51 0 0 0 SMALL GASTEIGER @ATOM 1 O -5.4286 -0.7336 0.6884 O.3 1 UNL1111111111 -0.5579 2 O 3.8920 1.5592 0.3551 O.3 1 UNL1111111111 -0.3088 3 O 5.2873 -0.9440 0.3639 O.3 1 UNL1111111111 -0.4799 4 C -3.1069 -0.4726 0.1568 C.3 1 UNL1111111111 0.0538 5 C -2.3454 0.7139 -0.5026 C.3 1 UNL1111111111 -0.1499 6 C -0.8705 0.6671 -0.1167 C.3 1 UNL1111111111 -0.1083 7 C -0.2716 -0.6382 -0.7095 C.3 1 UNL1111111111 -0.1121 8 C -4.5647 -0.1125 -0.2391 C.3 1 UNL1111111111 0.1281 9 C -2.5644 -1.7685 -0.4513 C.3 1 UNL1111111111 -0.2953 10 C -3.1795 1.9452 -0.1136 C.3 1 UNL1111111111 -0.2710 11 C -1.0482 -1.8736 -0.2052 C.3 1 UNL1111111111 -0.2695 12 C -4.6397 1.4347 -0.1417 C.3 1 UNL1111111111 -0.3363 13 C -0.0901 1.8592 -0.6776 C.3 1 UNL1111111111 -0.2803 14 C -3.0066 -0.5178 1.6839 C.3 1 UNL1111111111 -0.4418 15 C 1.2022 -0.7207 -0.4043 C.ar 1 UNL1111111111 -0.0236 16 C 1.3436 1.8150 -0.1429 C.3 1 UNL1111111111 -0.2623 17 C 1.9405 0.4428 -0.1616 C.ar 1 UNL1111111111 -0.0442 18 C 1.8532 -1.9576 -0.4154 C.ar 1 UNL1111111111 -0.1691 19 C 3.3200 0.3507 0.1023 C.ar 1 UNL1111111111 0.1272 20 C 3.2167 -2.0573 -0.1599 C.ar 1 UNL1111111111 -0.2466 21 C 3.9466 -0.9017 0.1038 C.ar 1 UNL1111111111 0.1503 22 C 5.3085 1.6060 0.4673 C.3 1 UNL1111111111 -0.1905 23 H -2.4120 0.6043 -1.6144 H 1 UNL1111111111 0.1358 24 H -0.7637 0.6530 0.9928 H 1 UNL1111111111 0.1516 25 H -0.3767 -0.5954 -1.8255 H 1 UNL1111111111 0.1475 26 H -4.8287 -0.4818 -1.2490 H 1 UNL1111111111 0.1083 27 H -2.7765 -1.8083 -1.5348 H 1 UNL1111111111 0.1336 28 H -3.0804 -2.6418 -0.0097 H 1 UNL1111111111 0.1480 29 H -3.0259 2.7822 -0.8098 H 1 UNL1111111111 0.1334 30 H -2.9044 2.3150 0.8870 H 1 UNL1111111111 0.1431 31 H -0.8514 -2.0160 0.8745 H 1 UNL1111111111 0.1483 32 H -0.6724 -2.7846 -0.7075 H 1 UNL1111111111 0.1336 33 H -5.1760 1.7305 0.7746 H 1 UNL1111111111 0.1515 34 H -5.1955 1.8612 -0.9872 H 1 UNL1111111111 0.1344 35 H -0.5733 2.8104 -0.3897 H 1 UNL1111111111 0.1389 36 H -0.0912 1.8389 -1.7824 H 1 UNL1111111111 0.1401 37 H -3.6231 -1.3359 2.0824 H 1 UNL1111111111 0.1604 38 H -1.9808 -0.6727 2.0307 H 1 UNL1111111111 0.1436 39 H -3.3804 0.4059 2.1393 H 1 UNL1111111111 0.1476 40 H 1.3734 2.2027 0.8998 H 1 UNL1111111111 0.1583 41 H 1.9835 2.5138 -0.7263 H 1 UNL1111111111 0.1590 42 H -6.3539 -0.4777 0.5213 H 1 UNL1111111111 0.3089 43 H 1.2952 -2.8677 -0.6294 H 1 UNL1111111111 0.1570 44 H 3.7054 -3.0268 -0.1663 H 1 UNL1111111111 0.1566 45 H 5.6213 -1.8730 0.3580 H 1 UNL1111111111 0.3234 46 H 5.6392 1.0731 1.3658 H 1 UNL1111111111 0.1443 47 H 5.4960 2.6829 0.5609 H 1 UNL1111111111 0.1404 48 H 5.7912 1.2038 -0.4281 H 1 UNL1111111111 0.1407 @BOND 1 1 8 1 2 1 42 1 3 2 19 1 4 2 22 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 23 1 14 6 7 1 15 6 13 1 16 6 24 1 17 7 11 1 18 7 15 1 19 7 25 1 20 8 12 1 21 8 26 1 22 9 11 1 23 9 27 1 24 9 28 1 25 10 12 1 26 10 29 1 27 10 30 1 28 11 31 1 29 11 32 1 30 12 33 1 31 12 34 1 32 13 16 1 33 13 35 1 34 13 36 1 35 14 37 1 36 14 38 1 37 14 39 1 38 15 17 ar 39 15 18 ar 40 16 17 1 41 16 40 1 42 16 41 1 43 17 19 ar 44 18 20 ar 45 18 43 1 46 19 21 ar 47 20 21 ar 48 20 44 1 49 22 46 1 50 22 47 1 51 22 48 1