@MOLECULE hexestrol diacetate 52 53 0 0 0 SMALL GASTEIGER @ATOM 1 O -5.9309 0.6701 0.0989 O.3 1 UNL1111111111 -0.4244 2 O 5.9193 -0.6968 -0.1633 O.3 1 UNL1111111111 -0.4244 3 O -5.8903 -1.5595 -0.2024 O.2 1 UNL1111111111 -0.4747 4 O 5.9144 1.5362 0.1169 O.2 1 UNL1111111111 -0.4747 5 C -0.2849 0.6949 -0.2056 C.3 1 UNL1111111111 -0.1245 6 C 0.2838 -0.6573 0.3097 C.3 1 UNL1111111111 -0.1242 7 C 0.3097 1.8702 0.5944 C.3 1 UNL1111111111 -0.2575 8 C -0.3471 -1.8356 -0.4585 C.3 1 UNL1111111111 -0.2571 9 C -1.7874 0.7153 -0.1048 C.ar 1 UNL1111111111 -0.0067 10 C 1.7830 -0.6924 0.1629 C.ar 1 UNL1111111111 -0.0064 11 C -0.0907 3.2132 -0.0163 C.3 1 UNL1111111111 -0.4371 12 C 0.1412 -3.1787 0.0824 C.3 1 UNL1111111111 -0.4374 13 C -2.4265 0.5724 1.1310 C.ar 1 UNL1111111111 -0.1402 14 C 2.3869 -0.5714 -1.0918 C.ar 1 UNL1111111111 -0.1396 15 C -2.5486 0.8854 -1.2664 C.ar 1 UNL1111111111 -0.1486 16 C 2.5766 -0.8580 1.3038 C.ar 1 UNL1111111111 -0.1490 17 C -3.8160 0.5476 1.2071 C.ar 1 UNL1111111111 -0.1969 18 C 3.7744 -0.5624 -1.2101 C.ar 1 UNL1111111111 -0.1970 19 C -3.9408 0.8604 -1.2115 C.ar 1 UNL1111111111 -0.1958 20 C 3.9668 -0.8497 1.2095 C.ar 1 UNL1111111111 -0.1954 21 C -4.5446 0.6734 0.0266 C.ar 1 UNL1111111111 0.2165 22 C 4.5358 -0.6831 -0.0501 C.ar 1 UNL1111111111 0.2166 23 C -6.5290 -0.5586 -0.0331 C.2 1 UNL1111111111 0.6245 24 C 6.5354 0.5257 -0.0618 C.2 1 UNL1111111111 0.6245 25 C -8.0060 -0.4080 0.0670 C.3 1 UNL1111111111 -0.5110 26 C 8.0069 0.3569 -0.2048 C.3 1 UNL1111111111 -0.5110 27 H 0.0217 0.8122 -1.2757 H 1 UNL1111111111 0.1477 28 H 0.0087 -0.7596 1.3897 H 1 UNL1111111111 0.1466 29 H -0.0119 1.8206 1.6509 H 1 UNL1111111111 0.1367 30 H 1.4140 1.7847 0.6153 H 1 UNL1111111111 0.1505 31 H -0.1207 -1.7556 -1.5383 H 1 UNL1111111111 0.1371 32 H -1.4512 -1.7822 -0.3792 H 1 UNL1111111111 0.1509 33 H 0.2167 3.2844 -1.0638 H 1 UNL1111111111 0.1424 34 H 0.3817 4.0427 0.5216 H 1 UNL1111111111 0.1420 35 H -1.1765 3.3656 0.0273 H 1 UNL1111111111 0.1477 36 H -0.3725 -4.0094 -0.4136 H 1 UNL1111111111 0.1422 37 H -0.0458 -3.2716 1.1588 H 1 UNL1111111111 0.1421 38 H 1.2185 -3.3110 -0.0757 H 1 UNL1111111111 0.1478 39 H -1.8398 0.4711 2.0416 H 1 UNL1111111111 0.1574 40 H 1.7746 -0.4762 -1.9866 H 1 UNL1111111111 0.1575 41 H -2.0542 1.0291 -2.2257 H 1 UNL1111111111 0.1564 42 H 2.1093 -0.9857 2.2787 H 1 UNL1111111111 0.1562 43 H -4.3262 0.4226 2.1576 H 1 UNL1111111111 0.1665 44 H 4.2569 -0.4541 -2.1753 H 1 UNL1111111111 0.1663 45 H -4.5422 0.9723 -2.1099 H 1 UNL1111111111 0.1668 46 H 4.5919 -0.9588 2.0888 H 1 UNL1111111111 0.1664 47 H -8.3064 0.0263 1.0343 H 1 UNL1111111111 0.1879 48 H -8.5023 -1.3881 -0.0353 H 1 UNL1111111111 0.1868 49 H -8.4023 0.2568 -0.7154 H 1 UNL1111111111 0.1876 50 H 8.4177 -0.3126 0.5660 H 1 UNL1111111111 0.1876 51 H 8.5174 1.3312 -0.1178 H 1 UNL1111111111 0.1868 52 H 8.2737 -0.0810 -1.1803 H 1 UNL1111111111 0.1878 @BOND 1 1 21 1 2 1 23 1 3 2 22 1 4 2 24 1 5 3 23 2 6 4 24 2 7 5 6 1 8 5 7 1 9 5 9 1 10 5 27 1 11 6 8 1 12 6 10 1 13 6 28 1 14 7 11 1 15 7 29 1 16 7 30 1 17 8 12 1 18 8 31 1 19 8 32 1 20 9 13 ar 21 9 15 ar 22 10 14 ar 23 10 16 ar 24 11 33 1 25 11 34 1 26 11 35 1 27 12 36 1 28 12 37 1 29 12 38 1 30 13 17 ar 31 13 39 1 32 14 18 ar 33 14 40 1 34 15 19 ar 35 15 41 1 36 16 20 ar 37 16 42 1 38 17 21 ar 39 17 43 1 40 18 22 ar 41 18 44 1 42 19 21 ar 43 19 45 1 44 20 22 ar 45 20 46 1 46 23 25 1 47 24 26 1 48 25 47 1 49 25 48 1 50 25 49 1 51 26 50 1 52 26 51 1 53 26 52 1