BR6MJ2 -OEChem-04012112512D 50 53 0 0 0 0 0 0 0999 V2000 4.5000 -1.2180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4580 -0.8520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7320 0.6480 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8744 -0.0473 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8744 -1.6567 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 -0.3520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 0.6480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8660 -0.8520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8660 1.1480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7320 -0.3520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -0.3520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5981 1.1480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 0.5140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 0.5140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 1.3800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4641 0.6480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.3800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 2.2461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 2.2461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3301 0.1480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1962 -0.3520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9282 -0.3520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0622 0.1480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9282 -1.3520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1962 -1.3520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0622 -1.8520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4580 -0.8520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7880 1.2306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3894 0.5403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4675 -1.3270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2646 -1.3270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2646 1.6229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4675 1.6229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9441 -0.9346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3426 -0.2443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4174 -0.5641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1077 -0.9626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9966 1.6229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1996 1.6229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8100 -1.7550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 -0.0229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6200 1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 2.7830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 2.7830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0622 0.7680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6592 -1.6620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0622 -2.4720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0670 0.5420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0670 -2.2461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 40 1 0 0 0 0 2 27 2 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 3 12 1 0 0 0 0 4 22 1 0 0 0 0 4 27 1 0 0 0 0 4 49 1 0 0 0 0 5 24 1 0 0 0 0 5 27 1 0 0 0 0 5 50 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 7 9 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 10 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 13 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 16 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 14 17 1 0 0 0 0 14 41 1 0 0 0 0 15 18 2 0 0 0 0 15 42 1 0 0 0 0 16 20 3 0 0 0 0 17 19 2 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 19 45 1 0 0 0 0 20 21 1 0 0 0 0 21 23 2 0 0 0 0 21 25 1 0 0 0 0 22 23 1 0 0 0 0 22 24 2 0 0 0 0 23 46 1 0 0 0 0 24 26 1 0 0 0 0 25 26 2 0 0 0 0 25 47 1 0 0 0 0 26 48 1 0 0 0 0 M END $$$$