@MOLECULE (17beta)-1-chloroestra-1,3,5(10)-triene-3,17-diol 44 47 0 0 0 SMALL GASTEIGER @ATOM 1 CL 1.6958 -2.6484 -0.2086 Cl 1 UNL1111111111 -0.0833 2 O -4.5999 -1.2190 0.8633 O.3 1 UNL1111111111 -0.5616 3 O 5.5958 0.3784 0.2932 O.3 1 UNL1111111111 -0.4628 4 C -2.8413 0.3655 0.5459 C.3 1 UNL1111111111 0.0622 5 C -2.2366 0.9680 -0.7511 C.3 1 UNL1111111111 -0.1405 6 C -0.7060 1.0984 -0.7870 C.3 1 UNL1111111111 -0.1149 7 C 0.0005 -0.1589 -0.2410 C.3 1 UNL1111111111 -0.0968 8 C -4.2469 -0.1087 0.0633 C.3 1 UNL1111111111 0.1282 9 C -2.0379 -0.8393 1.0555 C.3 1 UNL1111111111 -0.2724 10 C -2.7570 0.0612 -1.8914 C.3 1 UNL1111111111 -0.2730 11 C -0.5435 -0.5357 1.1506 C.3 1 UNL1111111111 -0.2714 12 C -4.1071 -0.5032 -1.4198 C.3 1 UNL1111111111 -0.3392 13 C -0.2380 2.3406 -0.0147 C.3 1 UNL1111111111 -0.2742 14 C -3.0113 1.4090 1.6506 C.3 1 UNL1111111111 -0.4676 15 C 1.4874 0.0371 -0.1545 C.ar 1 UNL1111111111 -0.1227 16 C 1.2580 2.5633 -0.2468 C.3 1 UNL1111111111 -0.2893 17 C 2.0676 1.3122 -0.1005 C.ar 1 UNL1111111111 0.1070 18 C 2.3416 -1.0655 -0.0922 C.ar 1 UNL1111111111 0.0760 19 C 3.4506 1.4571 0.0512 C.ar 1 UNL1111111111 -0.3590 20 C 3.7144 -0.9706 0.0553 C.ar 1 UNL1111111111 -0.2874 21 C 4.2496 0.3186 0.1359 C.ar 1 UNL1111111111 0.3112 22 H -2.6709 1.9868 -0.8933 H 1 UNL1111111111 0.1330 23 H -0.4011 1.2243 -1.8579 H 1 UNL1111111111 0.1376 24 H -0.2296 -0.9988 -0.9482 H 1 UNL1111111111 0.1537 25 H -5.0177 0.6738 0.2118 H 1 UNL1111111111 0.1095 26 H -2.4322 -1.1603 2.0397 H 1 UNL1111111111 0.1528 27 H -2.2038 -1.7075 0.3857 H 1 UNL1111111111 0.1536 28 H -2.8544 0.6231 -2.8321 H 1 UNL1111111111 0.1325 29 H -2.0462 -0.7594 -2.0927 H 1 UNL1111111111 0.1458 30 H -0.3507 0.2786 1.8718 H 1 UNL1111111111 0.1402 31 H -0.0088 -1.4159 1.5529 H 1 UNL1111111111 0.1454 32 H -4.9402 -0.1114 -2.0212 H 1 UNL1111111111 0.1355 33 H -4.1328 -1.6017 -1.5266 H 1 UNL1111111111 0.1539 34 H -0.4410 2.2174 1.0664 H 1 UNL1111111111 0.1505 35 H -0.8079 3.2332 -0.3295 H 1 UNL1111111111 0.1352 36 H -3.6323 1.0107 2.4640 H 1 UNL1111111111 0.1564 37 H -2.0477 1.6898 2.0903 H 1 UNL1111111111 0.1500 38 H -3.4877 2.3232 1.2852 H 1 UNL1111111111 0.1376 39 H 1.6259 3.3476 0.4469 H 1 UNL1111111111 0.1520 40 H 1.4218 2.9717 -1.2695 H 1 UNL1111111111 0.1581 41 H -5.4597 -1.5840 0.5871 H 1 UNL1111111111 0.3100 42 H 3.8944 2.4454 0.0999 H 1 UNL1111111111 0.1654 43 H 4.3668 -1.8397 0.1091 H 1 UNL1111111111 0.1956 44 H 5.9234 1.3094 0.3454 H 1 UNL1111111111 0.3275 @BOND 1 1 18 1 2 2 8 1 3 2 41 1 4 3 21 1 5 3 44 1 6 4 5 1 7 4 8 1 8 4 9 1 9 4 14 1 10 5 6 1 11 5 10 1 12 5 22 1 13 6 7 1 14 6 13 1 15 6 23 1 16 7 11 1 17 7 15 1 18 7 24 1 19 8 12 1 20 8 25 1 21 9 11 1 22 9 26 1 23 9 27 1 24 10 12 1 25 10 28 1 26 10 29 1 27 11 30 1 28 11 31 1 29 12 32 1 30 12 33 1 31 13 16 1 32 13 34 1 33 13 35 1 34 14 36 1 35 14 37 1 36 14 38 1 37 15 17 ar 38 15 18 ar 39 16 17 1 40 16 39 1 41 16 40 1 42 17 19 ar 43 18 20 ar 44 19 21 ar 45 19 42 1 46 20 21 ar 47 20 43 1