@MOLECULE mestranol 49 52 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.7873 -0.8114 1.1463 O.3 1 UNL1111111111 -0.5408 2 O 5.9089 0.1065 0.1162 O.3 1 UNL1111111111 -0.3196 3 C -2.5072 -0.3797 0.5449 C.3 1 UNL1111111111 0.0674 4 C -1.8857 0.7941 -0.2645 C.3 1 UNL1111111111 -0.1515 5 C -0.4064 0.9461 0.0812 C.3 1 UNL1111111111 -0.1116 6 C -4.0077 -0.2279 0.1219 C.3 1 UNL1111111111 0.2900 7 C 0.3038 -0.3527 -0.3894 C.3 1 UNL1111111111 -0.1075 8 C -1.8185 -1.6791 0.1248 C.3 1 UNL1111111111 -0.2947 9 C -2.8410 1.9694 0.0016 C.3 1 UNL1111111111 -0.2721 10 C -0.2988 -1.5720 0.3393 C.3 1 UNL1111111111 -0.2710 11 C -4.2405 1.3161 0.0780 C.3 1 UNL1111111111 -0.3235 12 C 0.2385 2.1429 -0.6225 C.3 1 UNL1111111111 -0.2768 13 C -2.4209 -0.2094 2.0641 C.3 1 UNL1111111111 -0.4443 14 C 1.7949 -0.2500 -0.2148 C.ar 1 UNL1111111111 -0.0945 15 C 1.6778 2.2931 -0.1193 C.3 1 UNL1111111111 -0.2834 16 C 2.4338 0.9978 -0.1200 C.ar 1 UNL1111111111 0.0719 17 C -4.3208 -0.8381 -1.1509 C.1 1 UNL1111111111 -0.1306 18 C 2.5719 -1.4089 -0.2192 C.ar 1 UNL1111111111 -0.0989 19 C 3.8204 1.0671 -0.0057 C.ar 1 UNL1111111111 -0.2926 20 C 3.9594 -1.3622 -0.1060 C.ar 1 UNL1111111111 -0.3081 21 C 4.5702 -0.1156 0.0017 C.ar 1 UNL1111111111 0.2524 22 C -4.5882 -1.3480 -2.2150 C.1 1 UNL1111111111 -0.1919 23 C 6.7538 -1.0348 0.1284 C.3 1 UNL1111111111 -0.2018 24 H -1.9582 0.5481 -1.3541 H 1 UNL1111111111 0.1428 25 H -0.2793 1.0624 1.1834 H 1 UNL1111111111 0.1493 26 H 0.1111 -0.4776 -1.4892 H 1 UNL1111111111 0.1463 27 H -2.0315 -1.9054 -0.9362 H 1 UNL1111111111 0.1425 28 H -2.2268 -2.5300 0.7005 H 1 UNL1111111111 0.1491 29 H -2.7893 2.7268 -0.7946 H 1 UNL1111111111 0.1355 30 H -2.5881 2.4849 0.9419 H 1 UNL1111111111 0.1431 31 H -0.0660 -1.5117 1.4189 H 1 UNL1111111111 0.1469 32 H 0.1734 -2.5051 -0.0211 H 1 UNL1111111111 0.1352 33 H -4.7788 1.6306 0.9870 H 1 UNL1111111111 0.1565 34 H -4.8665 1.6058 -0.7771 H 1 UNL1111111111 0.1429 35 H -0.3345 3.0664 -0.4259 H 1 UNL1111111111 0.1376 36 H 0.2254 2.0027 -1.7191 H 1 UNL1111111111 0.1427 37 H -1.3857 -0.1956 2.4203 H 1 UNL1111111111 0.1459 38 H -2.9018 0.7150 2.4007 H 1 UNL1111111111 0.1487 39 H -2.9377 -1.0341 2.5741 H 1 UNL1111111111 0.1617 40 H 1.6726 2.7016 0.9154 H 1 UNL1111111111 0.1556 41 H 2.2097 3.0487 -0.7342 H 1 UNL1111111111 0.1514 42 H -5.7227 -0.8903 0.8708 H 1 UNL1111111111 0.3134 43 H 2.0934 -2.3842 -0.3186 H 1 UNL1111111111 0.1505 44 H 4.3327 2.0220 0.0744 H 1 UNL1111111111 0.1713 45 H 4.5334 -2.2805 -0.1073 H 1 UNL1111111111 0.1605 46 H -4.8161 -1.7808 -3.1204 H 1 UNL1111111111 0.1873 47 H 6.6743 -1.5913 -0.8105 H 1 UNL1111111111 0.1331 48 H 6.5375 -1.6723 0.9912 H 1 UNL1111111111 0.1332 49 H 7.7509 -0.5844 0.2242 H 1 UNL1111111111 0.1506 @BOND 1 1 6 1 2 1 42 1 3 2 21 1 4 2 23 1 5 3 4 1 6 3 6 1 7 3 8 1 8 3 13 1 9 4 5 1 10 4 9 1 11 4 24 1 12 5 7 1 13 5 12 1 14 5 25 1 15 6 11 1 16 6 17 1 17 7 10 1 18 7 14 1 19 7 26 1 20 8 10 1 21 8 27 1 22 8 28 1 23 9 11 1 24 9 29 1 25 9 30 1 26 10 31 1 27 10 32 1 28 11 33 1 29 11 34 1 30 12 15 1 31 12 35 1 32 12 36 1 33 13 37 1 34 13 38 1 35 13 39 1 36 14 16 ar 37 14 18 ar 38 15 16 1 39 15 40 1 40 15 41 1 41 16 19 ar 42 17 22 3 43 18 20 ar 44 18 43 1 45 19 21 ar 46 19 44 1 47 20 21 ar 48 20 45 1 49 22 46 1 50 23 47 1 51 23 48 1 52 23 49 1