B8ESA9 -OEChem-04042106573D 43 45 0 0 0 0 0 0 0999 V2000 -1.6061 2.1912 -0.0835 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6059 1.9152 1.6428 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9568 0.1720 -1.0203 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3097 0.1655 -0.0169 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4289 0.5235 -1.2326 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6134 0.9542 0.0356 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5595 -1.3321 0.1201 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2019 1.2482 1.2656 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6852 -2.1196 0.8690 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2176 1.3816 -1.1466 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6626 -1.9147 -0.5036 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8950 1.0402 -0.4524 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3947 1.9699 1.3134 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9141 -3.4899 0.9943 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4102 2.1033 -1.0989 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8916 -3.2849 -0.3785 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9988 2.3974 0.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0173 -4.0725 0.3706 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2479 0.5288 -0.2818 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0588 0.9823 0.7584 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7293 -0.4282 -1.1751 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3513 0.4789 0.9054 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0218 -0.9318 -1.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8328 -0.4783 0.0122 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7507 0.4833 0.8772 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4632 1.6004 -1.4358 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7548 -0.0035 -2.1368 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2189 -0.7816 -1.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7424 0.9200 2.1942 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1783 -1.6792 1.3602 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7969 1.1568 -2.1219 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3541 -1.3438 -1.1139 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8533 2.1984 2.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2331 -4.1032 1.5771 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8831 2.4330 -2.0194 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7475 -3.7400 -0.8684 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9281 2.9583 0.1681 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1949 -5.1396 0.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1426 -0.7855 -2.0166 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9943 0.8230 1.7111 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3997 -1.6718 -1.7275 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8397 -0.8693 0.1256 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3055 2.1041 2.2915 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 2 20 1 0 0 0 0 2 43 1 0 0 0 0 3 5 1 0 0 0 0 3 12 1 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 25 1 0 0 0 0 5 26 1 0 0 0 0 5 27 1 0 0 0 0 6 8 2 0 0 0 0 6 10 1 0 0 0 0 7 9 2 0 0 0 0 7 11 1 0 0 0 0 8 13 1 0 0 0 0 8 29 1 0 0 0 0 9 14 1 0 0 0 0 9 30 1 0 0 0 0 10 15 2 0 0 0 0 10 31 1 0 0 0 0 11 16 2 0 0 0 0 11 32 1 0 0 0 0 12 19 1 0 0 0 0 13 17 2 0 0 0 0 13 33 1 0 0 0 0 14 18 2 0 0 0 0 14 34 1 0 0 0 0 15 17 1 0 0 0 0 15 35 1 0 0 0 0 16 18 1 0 0 0 0 16 36 1 0 0 0 0 17 37 1 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 21 2 0 0 0 0 20 22 2 0 0 0 0 21 23 1 0 0 0 0 21 39 1 0 0 0 0 22 24 1 0 0 0 0 22 40 1 0 0 0 0 23 24 2 0 0 0 0 23 41 1 0 0 0 0 24 42 1 0 0 0 0 M END $$$$