BJE1I2 -OEChem-04022109503D 54 56 0 0 0 0 0 0 0999 V2000 -3.8272 0.6675 -0.9676 S 0 0 0 0 0 0 0 0 0 0 0 0 3.8274 0.6677 0.9674 S 0 0 0 0 0 0 0 0 0 0 0 0 -8.8553 -1.7404 0.9616 F 0 0 0 0 0 0 0 0 0 0 0 0 8.8552 -1.7406 -0.9624 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.3374 -0.1817 -2.0373 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0783 2.0732 -1.2216 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3379 -0.1812 2.0376 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0785 2.0735 1.2209 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7992 0.4875 0.4001 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7991 0.4872 -0.4000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3807 0.4872 0.1979 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3807 0.4870 -0.1974 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6905 -0.7210 0.0994 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6902 -0.7210 -0.0982 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6904 1.6952 0.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6903 1.6951 -0.0987 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4294 -2.0182 0.2049 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4291 -2.0185 -0.2032 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4293 2.9928 0.2053 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4291 2.9923 -0.2049 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3363 -0.0544 -0.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3363 -0.0542 0.3886 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2891 0.7390 0.2501 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2891 0.7389 -0.2509 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5722 -1.4169 -0.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5724 -1.4167 0.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4780 0.1696 0.7061 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4778 0.1695 -0.7071 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7610 -1.9861 -0.1159 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7612 -1.9861 0.1158 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7140 -1.1929 0.5231 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7140 -1.1931 -0.5236 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0833 1.0260 1.2294 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0830 1.0254 -1.2294 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5804 -2.4479 -0.7907 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4103 -1.9153 0.6787 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8865 -2.7368 0.8283 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5798 -2.4478 0.7928 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4101 -1.9158 -0.6768 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8862 -2.7372 -0.8264 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6321 3.3938 -0.7929 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3746 2.9172 0.7484 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8547 3.7331 0.7727 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6321 3.3933 0.7931 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3742 2.9168 -0.7483 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8545 3.7327 -0.7723 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1215 1.8005 0.4085 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1214 1.8005 -0.4095 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8408 -2.0548 -1.0599 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8411 -2.0546 1.0602 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2195 0.7863 1.2053 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2192 0.7860 -1.2067 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9444 -3.0472 -0.2563 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9446 -3.0472 0.2564 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 9 1 0 0 0 0 1 21 1 0 0 0 0 2 7 2 0 0 0 0 2 8 2 0 0 0 0 2 10 1 0 0 0 0 2 22 1 0 0 0 0 3 31 1 0 0 0 0 4 32 1 0 0 0 0 9 11 1 0 0 0 0 9 33 1 0 0 0 0 10 12 1 0 0 0 0 10 34 1 0 0 0 0 11 13 2 0 0 0 0 11 15 1 0 0 0 0 12 14 2 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 14 18 1 0 0 0 0 15 16 2 0 0 0 0 15 19 1 0 0 0 0 16 20 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 21 23 2 0 0 0 0 21 25 1 0 0 0 0 22 24 2 0 0 0 0 22 26 1 0 0 0 0 23 27 1 0 0 0 0 23 47 1 0 0 0 0 24 28 1 0 0 0 0 24 48 1 0 0 0 0 25 29 2 0 0 0 0 25 49 1 0 0 0 0 26 30 2 0 0 0 0 26 50 1 0 0 0 0 27 31 2 0 0 0 0 27 51 1 0 0 0 0 28 32 2 0 0 0 0 28 52 1 0 0 0 0 29 31 1 0 0 0 0 29 53 1 0 0 0 0 30 32 1 0 0 0 0 30 54 1 0 0 0 0 M END $$$$