@MOLECULE (17beta)-3,17-dihydroxyestra-1,3,5(10),9(11)-tetraen-12-one 41 44 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.8943 -0.6846 0.4532 O.3 1 UNL1111111111 -0.5575 2 O -2.3544 -2.5426 -0.7287 O.2 1 UNL1111111111 -0.4686 3 O 5.9938 -0.2094 0.1159 O.3 1 UNL1111111111 -0.4658 4 C -1.7356 0.8992 -0.3898 C.3 1 UNL1111111111 -0.1285 5 C -2.4743 -0.3382 0.1762 C.3 1 UNL1111111111 -0.1192 6 C -0.3105 0.9788 0.1592 C.3 1 UNL1111111111 -0.1441 7 C -3.9088 -0.0882 -0.3550 C.3 1 UNL1111111111 0.1643 8 C -2.6975 2.0624 -0.0964 C.3 1 UNL1111111111 -0.2748 9 C -4.1060 1.4428 -0.2499 C.3 1 UNL1111111111 -0.3007 10 C 0.3982 -0.3391 -0.0821 C.2 1 UNL1111111111 0.1300 11 C 0.4528 2.1162 -0.5333 C.3 1 UNL1111111111 -0.2661 12 C -1.7578 -1.5606 -0.3558 C.2 1 UNL1111111111 0.4745 13 C -2.4785 -0.4460 1.6999 C.3 1 UNL1111111111 -0.4287 14 C -0.2885 -1.4707 -0.3446 C.2 1 UNL1111111111 -0.3752 15 C 1.8600 2.2219 0.0519 C.3 1 UNL1111111111 -0.2974 16 C 1.8606 -0.3141 -0.0108 C.ar 1 UNL1111111111 -0.1614 17 C 2.5681 0.9038 0.0277 C.ar 1 UNL1111111111 0.1225 18 C 2.5848 -1.5149 0.0262 C.ar 1 UNL1111111111 -0.0286 19 C 3.9595 0.9139 0.0723 C.ar 1 UNL1111111111 -0.3119 20 C 3.9729 -1.5296 0.0729 C.ar 1 UNL1111111111 -0.3411 21 C 4.6424 -0.3041 0.0861 C.ar 1 UNL1111111111 0.3292 22 H -1.6645 0.7877 -1.5043 H 1 UNL1111111111 0.1480 23 H -0.3352 1.1695 1.2625 H 1 UNL1111111111 0.1649 24 H -4.0354 -0.4685 -1.3897 H 1 UNL1111111111 0.1240 25 H -2.5461 2.9048 -0.7869 H 1 UNL1111111111 0.1356 26 H -2.5480 2.4610 0.9198 H 1 UNL1111111111 0.1413 27 H -4.7477 1.6752 0.6192 H 1 UNL1111111111 0.1635 28 H -4.6314 1.8352 -1.1321 H 1 UNL1111111111 0.1421 29 H -0.0890 3.0730 -0.4103 H 1 UNL1111111111 0.1447 30 H 0.5063 1.9333 -1.6248 H 1 UNL1111111111 0.1516 31 H -2.9404 0.4386 2.1567 H 1 UNL1111111111 0.1601 32 H -3.0718 -1.3102 2.0311 H 1 UNL1111111111 0.1599 33 H -1.4709 -0.5582 2.1139 H 1 UNL1111111111 0.1458 34 H 0.2054 -2.4166 -0.5676 H 1 UNL1111111111 0.1809 35 H 1.8132 2.5864 1.1026 H 1 UNL1111111111 0.1625 36 H 2.4399 2.9926 -0.4979 H 1 UNL1111111111 0.1578 37 H -4.7785 -1.6599 0.4395 H 1 UNL1111111111 0.3278 38 H 2.0520 -2.4705 0.0227 H 1 UNL1111111111 0.1609 39 H 4.5225 1.8436 0.0955 H 1 UNL1111111111 0.1807 40 H 4.5171 -2.4669 0.0974 H 1 UNL1111111111 0.1666 41 H 6.4335 -1.0949 0.1243 H 1 UNL1111111111 0.3302 @BOND 1 1 7 1 2 1 37 1 3 2 12 2 4 3 21 1 5 3 41 1 6 4 5 1 7 4 6 1 8 4 8 1 9 4 22 1 10 5 7 1 11 5 12 1 12 5 13 1 13 6 10 1 14 6 11 1 15 6 23 1 16 7 9 1 17 7 24 1 18 8 9 1 19 8 25 1 20 8 26 1 21 9 27 1 22 9 28 1 23 10 14 2 24 10 16 1 25 11 15 1 26 11 29 1 27 11 30 1 28 12 14 1 29 13 31 1 30 13 32 1 31 13 33 1 32 14 34 1 33 15 17 1 34 15 35 1 35 15 36 1 36 16 17 ar 37 16 18 ar 38 17 19 ar 39 18 20 ar 40 18 38 1 41 19 21 ar 42 19 39 1 43 20 21 ar 44 20 40 1