BA2D1J -OEChem-04022110013D 54 57 0 0 0 0 0 0 0999 V2000 3.5397 2.8426 -0.8933 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7218 1.9849 1.0800 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4587 -1.9505 -0.1856 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2858 0.0012 1.2285 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4832 0.4990 -1.0228 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6000 -1.6605 -1.5351 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.1159 1.5175 0.5455 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4137 0.8045 0.1754 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3906 -2.8896 0.1175 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9338 0.6472 0.2908 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6536 1.6491 0.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3134 -0.6397 0.5259 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9401 -2.1896 0.1265 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4775 -0.3022 -0.8662 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3064 -1.4595 0.7996 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4091 -0.8912 0.1433 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5604 -1.8865 1.3387 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5541 -1.8435 -1.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6897 -0.2174 0.1521 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5653 -0.8636 -1.8736 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7948 -1.2373 1.3469 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7887 -1.1941 -1.0686 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9333 0.8915 0.1602 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7741 1.1748 0.1765 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8533 -0.9865 0.1356 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0222 1.7977 0.1843 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1013 -0.3634 0.1433 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1858 1.0285 0.1677 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5829 2.0158 0.1941 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4132 3.7208 -0.9894 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0080 2.4367 -0.0411 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1260 1.7961 1.6053 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4005 0.5433 -0.8904 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4740 -0.1444 0.7239 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3721 -3.6980 -0.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5651 -3.3911 1.0786 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6236 2.5752 -0.1063 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6595 1.9330 1.5377 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0815 -1.7876 1.8072 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0918 -2.1483 2.2836 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0905 -2.0816 -2.0303 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7482 -0.5756 -2.9195 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2644 -1.0076 2.3006 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2545 -0.9327 -2.0158 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0069 -0.0234 0.7569 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9721 0.6158 -0.8984 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8066 1.5128 0.3819 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8075 -2.0730 0.1166 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1056 2.8814 0.2075 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0074 -0.9621 0.1306 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1575 1.5134 0.1747 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5187 4.3114 -1.9032 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3898 4.3993 -0.1315 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4874 3.1409 -1.0491 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 29 2 0 0 0 0 3 6 1 0 0 0 0 3 9 1 0 0 0 0 3 15 1 0 0 0 0 4 10 2 0 0 0 0 4 12 1 0 0 0 0 5 10 1 0 0 0 0 5 14 2 0 0 0 0 6 20 2 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 8 11 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 13 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 11 23 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 14 1 0 0 0 0 12 15 2 0 0 0 0 13 17 2 0 0 0 0 13 18 1 0 0 0 0 14 20 1 0 0 0 0 15 39 1 0 0 0 0 16 19 1 0 0 0 0 16 21 2 0 0 0 0 16 22 1 0 0 0 0 17 21 1 0 0 0 0 17 40 1 0 0 0 0 18 22 2 0 0 0 0 18 41 1 0 0 0 0 19 24 1 0 0 0 0 19 25 2 0 0 0 0 20 42 1 0 0 0 0 21 43 1 0 0 0 0 22 44 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 24 26 2 0 0 0 0 24 29 1 0 0 0 0 25 27 1 0 0 0 0 25 48 1 0 0 0 0 26 28 1 0 0 0 0 26 49 1 0 0 0 0 27 28 2 0 0 0 0 27 50 1 0 0 0 0 28 51 1 0 0 0 0 30 52 1 0 0 0 0 30 53 1 0 0 0 0 30 54 1 0 0 0 0 M END $$$$