@MOLECULE 2,4-dibromoestra-1(10),2,4,6-tetraene-3,17-diyl diacetate 52 55 0 0 0 SMALL GASTEIGER @ATOM 1 BR 3.2990 -2.6247 -0.3202 Br 1 UNL1111 -0.0141 2 BR 3.1788 2.9978 -0.1624 Br 1 UNL1111 -0.0171 3 O -6.4083 0.4790 -0.5279 O.3 1 UNL1111 -0.4429 4 O -7.9917 0.6397 1.0638 O.2 1 UNL1111 -0.5142 5 O 4.2516 0.1914 -0.6005 O.3 1 UNL1111 -0.3977 6 O 4.9969 0.1325 1.5305 O.2 1 UNL1111 -0.4534 7 C -4.0885 0.1353 -0.0135 C.3 1 UNL1111 0.0420 8 C -3.3539 -1.1722 0.4055 C.3 1 UNL1111 -0.1394 9 C -1.8865 -1.1075 -0.0044 C.3 1 UNL1111 -0.1334 10 C -5.5491 -0.2480 0.3490 C.3 1 UNL1111 0.1045 11 C -3.4912 1.2837 0.8028 C.3 1 UNL1111 -0.2933 12 C -4.2390 -2.2884 -0.1696 C.3 1 UNL1111 -0.2759 13 C -1.2328 0.0680 0.7823 C.3 1 UNL1111 -0.1090 14 C -5.6769 -1.7564 0.0273 C.3 1 UNL1111 -0.3140 15 C -1.9793 1.3915 0.5325 C.3 1 UNL1111 -0.2681 16 C -4.0113 0.4464 -1.5108 C.3 1 UNL1111 -0.4453 17 C -1.1388 -2.3664 0.3018 C.2 1 UNL1111 -0.1170 18 C 0.2340 0.1312 0.4379 C.ar 1 UNL1111 -0.0163 19 C 0.9307 -1.0903 0.2786 C.ar 1 UNL1111 0.0149 20 C 0.1947 -2.3413 0.4377 C.2 1 UNL1111 -0.1902 21 C 0.9060 1.3445 0.3165 C.ar 1 UNL1111 -0.1534 22 C -7.6222 0.8599 -0.0604 C.2 1 UNL1111 0.6274 23 C 2.2870 -1.0549 -0.0367 C.ar 1 UNL1111 -0.0851 24 C 2.2626 1.3583 0.0114 C.ar 1 UNL1111 -0.0754 25 C 2.9496 0.1652 -0.1733 C.ar 1 UNL1111 0.2019 26 C -8.3669 1.5723 -1.1381 C.3 1 UNL1111 -0.5115 27 C 5.2441 0.1781 0.3614 C.2 1 UNL1111 0.6276 28 C 6.5558 0.2236 -0.3344 C.3 1 UNL1111 -0.5057 29 H -3.3917 -1.2579 1.5228 H 1 UNL1111 0.1448 30 H -1.8038 -0.9101 -1.1044 H 1 UNL1111 0.1655 31 H -5.8004 -0.0146 1.4024 H 1 UNL1111 0.1458 32 H -3.6744 1.1314 1.8827 H 1 UNL1111 0.1418 33 H -3.9874 2.2380 0.5467 H 1 UNL1111 0.1456 34 H -4.0859 -3.2480 0.3455 H 1 UNL1111 0.1381 35 H -4.0198 -2.4675 -1.2346 H 1 UNL1111 0.1436 36 H -1.3054 -0.1680 1.8794 H 1 UNL1111 0.1613 37 H -6.2872 -1.9058 -0.8786 H 1 UNL1111 0.1547 38 H -6.1961 -2.2870 0.8405 H 1 UNL1111 0.1480 39 H -1.8118 1.7247 -0.5100 H 1 UNL1111 0.1473 40 H -1.5600 2.1842 1.1828 H 1 UNL1111 0.1407 41 H -4.5462 1.3769 -1.7413 H 1 UNL1111 0.1536 42 H -2.9808 0.5646 -1.8599 H 1 UNL1111 0.1462 43 H -4.4778 -0.3441 -2.1102 H 1 UNL1111 0.1515 44 H -1.7218 -3.2777 0.3899 H 1 UNL1111 0.1515 45 H 0.7621 -3.2398 0.6734 H 1 UNL1111 0.1700 46 H 0.3746 2.2877 0.4613 H 1 UNL1111 0.1796 47 H -7.9179 1.4258 -2.1325 H 1 UNL1111 0.1833 48 H -8.3888 2.6557 -0.9392 H 1 UNL1111 0.1855 49 H -9.4116 1.2256 -1.1797 H 1 UNL1111 0.1856 50 H 6.9643 -0.7934 -0.4582 H 1 UNL1111 0.1908 51 H 7.2854 0.8083 0.2491 H 1 UNL1111 0.1879 52 H 6.4870 0.6695 -1.3408 H 1 UNL1111 0.1914 @BOND 1 1 23 1 2 2 24 1 3 3 10 1 4 3 22 1 5 4 22 2 6 5 25 1 7 5 27 1 8 6 27 2 9 7 8 1 10 7 10 1 11 7 11 1 12 7 16 1 13 8 9 1 14 8 12 1 15 8 29 1 16 9 13 1 17 9 17 1 18 9 30 1 19 10 14 1 20 10 31 1 21 11 15 1 22 11 32 1 23 11 33 1 24 12 14 1 25 12 34 1 26 12 35 1 27 13 15 1 28 13 18 1 29 13 36 1 30 14 37 1 31 14 38 1 32 15 39 1 33 15 40 1 34 16 41 1 35 16 42 1 36 16 43 1 37 17 20 2 38 17 44 1 39 18 19 ar 40 18 21 ar 41 19 20 1 42 19 23 ar 43 20 45 1 44 21 24 ar 45 21 46 1 46 22 26 1 47 23 25 ar 48 24 25 ar 49 26 47 1 50 26 48 1 51 26 49 1 52 27 28 1 53 28 50 1 54 28 51 1 55 28 52 1