@MOLECULE (17beta)-1-chloroestra-1,3,5(10)-triene-3,17-diol 44 47 0 0 0 SMALL GASTEIGER @ATOM 1 CL -2.0921 -2.5288 0.7455 Cl 1 UNL1111111111 -0.0920 2 O 5.0873 -1.0215 -0.7092 O.3 1 UNL1111111111 -0.5575 3 O -5.5470 0.8367 -0.7117 O.3 1 UNL1111111111 -0.4632 4 C 2.7998 -0.4038 -0.3532 C.3 1 UNL1111111111 0.0534 5 C 2.1769 0.6569 0.6069 C.3 1 UNL1111111111 -0.1499 6 C 0.7857 1.0303 0.1059 C.3 1 UNL1111111111 -0.1170 7 C -0.0916 -0.2431 0.2992 C.3 1 UNL1111111111 -0.1020 8 C 4.2110 -0.5312 0.2826 C.3 1 UNL1111111111 0.1295 9 C 1.9278 -1.6620 -0.3074 C.3 1 UNL1111111111 -0.2902 10 C 3.2700 1.7287 0.7200 C.3 1 UNL1111111111 -0.2713 11 C 0.4663 -1.3168 -0.6629 C.3 1 UNL1111111111 -0.2732 12 C 4.5866 0.9132 0.7142 C.3 1 UNL1111111111 -0.3359 13 C 0.1483 2.2148 0.8265 C.3 1 UNL1111111111 -0.2778 14 C 2.9580 0.0683 -1.8023 C.3 1 UNL1111111111 -0.4427 15 C -1.5545 0.0451 0.1101 C.ar 1 UNL1111111111 -0.1175 16 C -1.1409 2.5570 0.0703 C.3 1 UNL1111111111 -0.2841 17 C -2.0295 1.3588 -0.0803 C.ar 1 UNL1111111111 0.0964 18 C -2.5141 -0.9610 0.1913 C.ar 1 UNL1111111111 0.0852 19 C -3.3721 1.5965 -0.3678 C.ar 1 UNL1111111111 -0.2975 20 C -3.8631 -0.7738 -0.0818 C.ar 1 UNL1111111111 -0.3524 21 C -4.2656 0.5233 -0.3974 C.ar 1 UNL1111111111 0.3134 22 H 2.0647 0.1963 1.6222 H 1 UNL1111111111 0.1387 23 H 0.8382 1.2789 -0.9831 H 1 UNL1111111111 0.1507 24 H 0.0402 -0.6071 1.3517 H 1 UNL1111111111 0.1527 25 H 4.2270 -1.2404 1.1327 H 1 UNL1111111111 0.1101 26 H 1.9691 -2.1312 0.6920 H 1 UNL1111111111 0.1376 27 H 2.3175 -2.4208 -1.0117 H 1 UNL1111111111 0.1502 28 H 3.1650 2.3303 1.6339 H 1 UNL1111111111 0.1334 29 H 3.2320 2.4337 -0.1253 H 1 UNL1111111111 0.1411 30 H 0.3972 -0.9549 -1.7055 H 1 UNL1111111111 0.1447 31 H -0.1276 -2.2435 -0.6454 H 1 UNL1111111111 0.1486 32 H 5.3113 1.3433 0.0044 H 1 UNL1111111111 0.1514 33 H 5.0652 0.9225 1.7026 H 1 UNL1111111111 0.1351 34 H 0.8314 3.0821 0.8451 H 1 UNL1111111111 0.1407 35 H -0.0671 1.9708 1.8823 H 1 UNL1111111111 0.1457 36 H 3.4848 -0.6944 -2.3942 H 1 UNL1111111111 0.1628 37 H 1.9970 0.2591 -2.2877 H 1 UNL1111111111 0.1403 38 H 3.5573 0.9823 -1.8680 H 1 UNL1111111111 0.1462 39 H -0.8962 2.9675 -0.9335 H 1 UNL1111111111 0.1600 40 H -1.6814 3.3702 0.5981 H 1 UNL1111111111 0.1551 41 H 6.0000 -1.0634 -0.3722 H 1 UNL1111111111 0.3094 42 H -3.7414 2.6021 -0.5561 H 1 UNL1111111111 0.1819 43 H -4.5742 -1.5922 -0.0387 H 1 UNL1111111111 0.1809 44 H -6.1377 0.0440 -0.7073 H 1 UNL1111111111 0.3291 @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