BAS95M -OEChem-04042104403D 53 55 0 1 0 0 0 0 0999 V2000 2.5119 -2.2113 0.1282 S 0 0 0 0 0 0 0 0 0 0 0 0 2.6955 -3.2770 1.0949 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1695 -2.2764 -1.1629 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2896 -1.6807 -0.9151 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2623 1.2809 -1.0114 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5101 -0.5141 0.3528 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8775 -0.7202 0.8539 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5266 1.8677 2.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8865 1.7462 0.7079 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2905 0.4287 0.0130 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4370 1.8670 0.9650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4347 2.2171 0.0173 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7878 2.2101 0.6924 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8151 1.6584 2.1744 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7876 0.3231 -0.1719 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7793 -2.0501 -0.1827 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4504 2.5400 -1.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0003 2.5112 0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7549 2.8433 -1.9978 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9602 2.8286 -1.2988 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3340 -1.5191 -1.3933 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1426 -2.4571 0.7818 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9554 -1.8018 -0.6749 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3544 -0.6701 -0.2284 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0334 -1.3951 -1.6394 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5099 -2.3329 0.5356 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1356 -1.4675 0.2139 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2986 -0.3909 0.9374 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4926 0.4424 0.5002 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4366 1.8388 1.6549 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2176 2.5966 0.0977 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8103 0.3570 -0.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1734 -0.6997 1.8377 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2046 1.3785 3.1433 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2252 1.7818 2.7252 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3811 2.5549 -1.9139 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9396 2.4973 0.6047 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7490 3.0918 -3.0558 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8848 3.0656 -1.8188 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0333 -1.1897 -2.1562 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1839 -2.8723 1.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8799 -1.2163 -1.0216 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0236 0.2727 -0.6825 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3745 -0.9777 -2.5828 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1937 -2.6854 1.3021 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6235 -0.8928 0.9967 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4458 -2.4386 0.6166 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7633 0.1418 1.7321 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6543 -1.3364 1.3631 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2332 1.2115 -1.1329 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0690 -0.0741 -0.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1562 0.6292 1.3502 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1709 1.4099 0.1014 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 7 1 0 0 0 0 1 16 1 0 0 0 0 4 23 1 0 0 0 0 4 27 1 0 0 0 0 5 15 1 0 0 0 0 5 50 1 0 0 0 0 6 15 2 0 0 0 0 7 10 1 0 0 0 0 7 33 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 15 1 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 14 2 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 18 2 0 0 0 0 14 34 1 0 0 0 0 16 21 2 0 0 0 0 16 22 1 0 0 0 0 17 19 1 0 0 0 0 17 36 1 0 0 0 0 18 20 1 0 0 0 0 18 37 1 0 0 0 0 19 20 2 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 21 25 1 0 0 0 0 21 40 1 0 0 0 0 22 26 2 0 0 0 0 22 41 1 0 0 0 0 23 25 2 0 0 0 0 23 26 1 0 0 0 0 24 27 1 0 0 0 0 24 28 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 25 44 1 0 0 0 0 26 45 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 28 29 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 M END $$$$