@MOLECULE (17beta)-17-methylestra-1,3,5(10)-triene-3,17-diol 47 50 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.6578 -0.9164 0.7855 O.3 1 UNL1111111111 -0.5698 2 O 6.0830 -0.1722 0.2437 O.3 1 UNL1111111111 -0.4773 3 C -2.3662 -0.4832 0.2961 C.3 1 UNL1111111111 0.0492 4 C -1.6824 0.7607 -0.3409 C.3 1 UNL1111111111 -0.1493 5 C -0.2193 0.8410 0.0895 C.3 1 UNL1111111111 -0.1133 6 C -3.8431 -0.2492 -0.1535 C.3 1 UNL1111111111 0.3037 7 C 0.4950 -0.4129 -0.4846 C.3 1 UNL1111111111 -0.1101 8 C -2.6279 1.9199 0.0146 C.3 1 UNL1111111111 -0.2717 9 C -1.6733 -1.7406 -0.2341 C.3 1 UNL1111111111 -0.2901 10 C -4.0398 1.2919 -0.0310 C.3 1 UNL1111111111 -0.3429 11 C -0.1648 -1.6921 0.0721 C.3 1 UNL1111111111 -0.2724 12 C 0.4756 2.0946 -0.4495 C.3 1 UNL1111111111 -0.2783 13 C -2.3318 -0.4853 1.8313 C.3 1 UNL1111111111 -0.4424 14 C 1.9777 -0.3614 -0.2299 C.ar 1 UNL1111111111 -0.0941 15 C -4.1824 -0.7577 -1.5552 C.3 1 UNL1111111111 -0.5123 16 C 1.8930 2.1602 0.1258 C.3 1 UNL1111111111 -0.2849 17 C 2.6294 0.8592 0.0127 C.ar 1 UNL1111111111 0.0735 18 C 2.7352 -1.5319 -0.3162 C.ar 1 UNL1111111111 -0.0930 19 C 4.0144 0.8950 0.1755 C.ar 1 UNL1111111111 -0.2867 20 C 4.1181 -1.5206 -0.1563 C.ar 1 UNL1111111111 -0.3194 21 C 4.7370 -0.2947 0.0844 C.ar 1 UNL1111111111 0.2927 22 H -1.7009 0.6452 -1.4546 H 1 UNL1111111111 0.1361 23 H -0.1452 0.8346 1.2015 H 1 UNL1111111111 0.1499 24 H 0.3578 -0.4114 -1.5989 H 1 UNL1111111111 0.1451 25 H -1.8241 -1.8416 -1.3238 H 1 UNL1111111111 0.1359 26 H -2.1249 -2.6417 0.2216 H 1 UNL1111111111 0.1473 27 H -2.5329 2.7577 -0.6915 H 1 UNL1111111111 0.1325 28 H -2.4019 2.3258 1.0139 H 1 UNL1111111111 0.1417 29 H -4.6022 1.5191 0.8900 H 1 UNL1111111111 0.1527 30 H -4.6296 1.6927 -0.8653 H 1 UNL1111111111 0.1375 31 H 0.0084 -1.7554 1.1626 H 1 UNL1111111111 0.1475 32 H 0.3116 -2.5894 -0.3646 H 1 UNL1111111111 0.1336 33 H -0.0917 3.0021 -0.1749 H 1 UNL1111111111 0.1389 34 H 0.5068 2.0770 -1.5542 H 1 UNL1111111111 0.1417 35 H -2.8238 0.3990 2.2516 H 1 UNL1111111111 0.1480 36 H -2.8712 -1.3590 2.2233 H 1 UNL1111111111 0.1607 37 H -1.3116 -0.5187 2.2231 H 1 UNL1111111111 0.1420 38 H -3.4940 -0.3561 -2.3070 H 1 UNL1111111111 0.1588 39 H -4.1267 -1.8525 -1.5963 H 1 UNL1111111111 0.1616 40 H -5.1954 -0.4702 -1.8544 H 1 UNL1111111111 0.1471 41 H 1.8494 2.4518 1.1988 H 1 UNL1111111111 0.1571 42 H 2.4618 2.9694 -0.3777 H 1 UNL1111111111 0.1518 43 H -5.5974 -0.8667 0.5358 H 1 UNL1111111111 0.3117 44 H 2.2442 -2.4840 -0.5217 H 1 UNL1111111111 0.1514 45 H 4.5400 1.8266 0.3650 H 1 UNL1111111111 0.1749 46 H 4.6907 -2.4371 -0.2238 H 1 UNL1111111111 0.1588 47 H 6.5448 -1.0403 0.1692 H 1 UNL1111111111 0.3248 @BOND 1 1 6 1 2 1 43 1 3 2 21 1 4 2 47 1 5 3 4 1 6 3 6 1 7 3 9 1 8 3 13 1 9 4 5 1 10 4 8 1 11 4 22 1 12 5 7 1 13 5 12 1 14 5 23 1 15 6 10 1 16 6 15 1 17 7 11 1 18 7 14 1 19 7 24 1 20 8 10 1 21 8 27 1 22 8 28 1 23 9 11 1 24 9 25 1 25 9 26 1 26 10 29 1 27 10 30 1 28 11 31 1 29 11 32 1 30 12 16 1 31 12 33 1 32 12 34 1 33 13 35 1 34 13 36 1 35 13 37 1 36 14 17 ar 37 14 18 ar 38 15 38 1 39 15 39 1 40 15 40 1 41 16 17 1 42 16 41 1 43 16 42 1 44 17 19 ar 45 18 20 ar 46 18 44 1 47 19 21 ar 48 19 45 1 49 20 21 ar 50 20 46 1