BR3GJ1 -OEChem-04022109102D 44 47 0 0 0 0 0 0 0999 V2000 3.4030 -5.5600 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 4.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.4400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.5600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1629 3.4747 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 1.9192 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 4.9400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 3.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 2.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1629 1.4053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -4.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -4.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 4.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 2.9608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8796 -0.1677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4810 0.5226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3249 0.5226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9264 -0.1677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4810 -1.6426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8796 -0.9523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9264 -0.9523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3249 -1.6426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -2.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1558 0.7854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -4.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6047 3.2729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 5.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 2 25 2 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 3 12 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 4 13 1 0 0 0 0 5 16 1 0 0 0 0 5 26 2 0 0 0 0 6 21 2 0 0 0 0 6 26 1 0 0 0 0 7 25 1 0 0 0 0 7 43 1 0 0 0 0 7 44 1 0 0 0 0 8 10 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 11 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 13 17 2 0 0 0 0 13 18 1 0 0 0 0 14 16 1 0 0 0 0 14 21 1 0 0 0 0 15 20 2 0 0 0 0 15 35 1 0 0 0 0 16 19 2 0 0 0 0 17 22 1 0 0 0 0 17 36 1 0 0 0 0 18 23 2 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 25 1 0 0 0 0 20 38 1 0 0 0 0 21 39 1 0 0 0 0 22 24 2 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 26 42 1 0 0 0 0 M END $$$$