BJRA57 -OEChem-04022101572D 35 37 0 1 0 0 0 0 0999 V2000 5.6350 -1.2430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 4.1230 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 -1.2430 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 2.7570 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 3.6230 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4030 3.6230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 1.7570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7690 1.2570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0369 1.2570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7690 0.2570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0369 0.2570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 -0.2430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7690 -1.7430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7690 -2.7430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 -3.2430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6350 -3.2430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 -4.2430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6350 -4.2430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7690 -4.7430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5018 2.5965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5634 4.2219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9856 3.4110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5106 4.2336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 4.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.8130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3059 1.5670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 1.5670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3059 -0.0530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -0.0530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -1.5530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -2.9330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1720 -2.9330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -4.5530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1720 -4.5530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7690 -5.3630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 2 0 0 0 0 5 2 1 6 0 0 0 2 24 1 0 0 0 0 2 25 1 0 0 0 0 3 12 1 0 0 0 0 3 13 1 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 1 0 0 0 4 20 1 0 0 0 0 5 6 1 0 0 0 0 5 21 1 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 8 10 1 0 0 0 0 8 26 1 0 0 0 0 9 11 2 0 0 0 0 9 27 1 0 0 0 0 10 12 2 0 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 31 1 0 0 0 0 16 18 2 0 0 0 0 16 32 1 0 0 0 0 17 19 2 0 0 0 0 17 33 1 0 0 0 0 18 19 1 0 0 0 0 18 34 1 0 0 0 0 19 35 1 0 0 0 0 M END $$$$