@MOLECULE 3,14-dihydroxyestra-1(10),2,4-trien-17-one 43 46 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.4418 1.9342 0.2689 O.3 1 UNL11111111111111 -0.5659 2 O -4.7319 -1.1689 -0.5996 O.2 1 UNL11111111111111 -0.4541 3 O 5.9536 -0.2894 -0.0653 O.3 1 UNL11111111111111 -0.4734 4 C -1.8724 0.6596 0.5096 C.3 1 UNL11111111111111 0.2817 5 C -2.4840 -0.2532 -0.5910 C.3 1 UNL11111111111111 -0.0510 6 C -0.3394 0.7945 0.5484 C.3 1 UNL11111111111111 -0.1739 7 C 0.3501 -0.5706 0.3589 C.3 1 UNL11111111111111 -0.0987 8 C -1.6772 -1.5511 -0.7671 C.3 1 UNL11111111111111 -0.2798 9 C -2.4597 0.1282 1.8486 C.3 1 UNL11111111111111 -0.3331 10 C -0.1798 -1.2841 -0.8992 C.3 1 UNL11111111111111 -0.2686 11 C 0.1672 1.7817 -0.5115 C.3 1 UNL11111111111111 -0.2592 12 C -3.8332 -0.6636 0.0124 C.2 1 UNL11111111111111 0.4737 13 C -3.8624 -0.3757 1.4970 C.3 1 UNL11111111111111 -0.3783 14 C -2.7019 0.4610 -1.9154 C.3 1 UNL11111111111111 -0.4347 15 C 1.8424 -0.4220 0.2462 C.ar 1 UNL11111111111111 -0.1080 16 C 1.6602 2.0465 -0.2975 C.3 1 UNL11111111111111 -0.2935 17 C 2.4496 0.7910 -0.0881 C.ar 1 UNL11111111111111 0.0886 18 C 2.6321 -1.5584 0.4688 C.ar 1 UNL11111111111111 -0.0955 19 C 3.8424 0.8680 -0.2028 C.ar 1 UNL11111111111111 -0.3495 20 C 4.0133 -1.5061 0.3594 C.ar 1 UNL11111111111111 -0.2585 21 C 4.5973 -0.2797 0.0224 C.ar 1 UNL11111111111111 0.2978 22 H -0.0514 1.1902 1.5546 H 1 UNL11111111111111 0.1409 23 H 0.1169 -1.2034 1.2536 H 1 UNL11111111111111 0.1400 24 H -2.0485 -2.0918 -1.6616 H 1 UNL11111111111111 0.1567 25 H -1.8581 -2.2348 0.0863 H 1 UNL11111111111111 0.1407 26 H -2.4855 0.9165 2.6153 H 1 UNL11111111111111 0.1467 27 H -1.8334 -0.6832 2.2546 H 1 UNL11111111111111 0.1517 28 H 0.3642 -2.2352 -1.0530 H 1 UNL11111111111111 0.1429 29 H 0.0310 -0.6756 -1.7992 H 1 UNL11111111111111 0.1509 30 H -0.3998 2.7309 -0.4746 H 1 UNL11111111111111 0.1498 31 H -0.0112 1.3782 -1.5268 H 1 UNL11111111111111 0.1520 32 H -4.6361 0.3888 1.7072 H 1 UNL11111111111111 0.1778 33 H -4.1564 -1.2675 2.0749 H 1 UNL11111111111111 0.1684 34 H -1.7550 0.6776 -2.4208 H 1 UNL11111111111111 0.1483 35 H -3.2210 1.4215 -1.7775 H 1 UNL11111111111111 0.1694 36 H -3.3207 -0.1441 -2.5925 H 1 UNL11111111111111 0.1588 37 H 1.8032 2.7086 0.5846 H 1 UNL11111111111111 0.1548 38 H 2.0613 2.6162 -1.1617 H 1 UNL11111111111111 0.1536 39 H -2.2184 2.5603 0.9823 H 1 UNL11111111111111 0.3141 40 H 2.1526 -2.5021 0.7318 H 1 UNL11111111111111 0.1525 41 H 4.3201 1.8057 -0.4617 H 1 UNL11111111111111 0.1617 42 H 4.6378 -2.3785 0.5272 H 1 UNL11111111111111 0.1763 43 H 6.3190 0.5973 -0.2973 H 1 UNL11111111111111 0.3258 @BOND 1 1 4 1 2 1 39 1 3 2 12 2 4 3 21 1 5 3 43 1 6 4 5 1 7 4 6 1 8 4 9 1 9 5 8 1 10 5 12 1 11 5 14 1 12 6 7 1 13 6 11 1 14 6 22 1 15 7 10 1 16 7 15 1 17 7 23 1 18 8 10 1 19 8 24 1 20 8 25 1 21 9 13 1 22 9 26 1 23 9 27 1 24 10 28 1 25 10 29 1 26 11 16 1 27 11 30 1 28 11 31 1 29 12 13 1 30 13 32 1 31 13 33 1 32 14 34 1 33 14 35 1 34 14 36 1 35 15 17 ar 36 15 18 ar 37 16 17 1 38 16 37 1 39 16 38 1 40 17 19 ar 41 18 20 ar 42 18 40 1 43 19 21 ar 44 19 41 1 45 20 21 ar 46 20 42 1