BKX90E -OEChem-04022114093D 28 29 0 0 0 0 0 0 0999 V2000 1.2710 -3.3270 -0.0915 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.2344 2.3205 -0.6968 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7595 -1.2833 0.4860 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9874 0.7896 -0.2419 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2962 1.7387 0.1716 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7608 -0.0001 -0.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1398 0.3241 -1.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1519 1.0165 -0.5439 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4415 0.7346 -0.1017 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8113 -0.6187 0.0466 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3897 -1.3308 -0.6882 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8937 -1.6413 -0.2477 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1092 -0.9029 0.4921 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9921 0.1295 0.7741 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5399 1.4217 0.5989 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7283 -0.0583 0.5683 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5068 0.6871 1.6192 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1233 1.0834 -2.0992 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6083 -0.5599 -1.7596 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0998 -2.1229 -0.9141 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4664 -1.9194 0.6306 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0368 1.7904 -0.0749 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9994 -0.0718 1.1193 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1855 2.2694 0.8037 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1925 2.3938 -0.8197 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0563 1.5174 1.1664 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2229 0.0119 2.0954 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8188 1.0746 2.3756 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 2 8 1 0 0 0 0 2 25 1 0 0 0 0 3 16 2 0 0 0 0 4 7 1 0 0 0 0 4 16 1 0 0 0 0 4 22 1 0 0 0 0 5 9 1 0 0 0 0 5 15 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 11 2 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 20 1 0 0 0 0 13 14 2 0 0 0 0 13 21 1 0 0 0 0 14 15 1 0 0 0 0 14 23 1 0 0 0 0 15 24 1 0 0 0 0 16 17 1 0 0 0 0 17 26 1 0 0 0 0 17 27 1 0 0 0 0 17 28 1 0 0 0 0 M END $$$$