BIT2V3 -OEChem-04022109412D 37 40 0 0 0 0 0 0 0999 V2000 11.6928 -0.5811 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.5029 -1.1675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3855 -1.5327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0035 1.9788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 -0.6947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2765 0.2236 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1486 -0.7764 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0440 -1.7709 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0659 -1.9788 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7466 -0.2764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7466 0.7236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8806 -0.7764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0146 -0.2764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6928 1.0283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8806 1.2236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0146 0.7236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2350 -0.3697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5659 -1.1128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5714 -1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9836 -1.8173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1646 -0.0947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9890 -1.7128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1701 0.0098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 -0.7992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8806 -1.3964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8965 0.2236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8806 1.8436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4776 1.0336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1061 0.2368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2357 -2.3837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5290 0.4068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6246 -2.2144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9179 0.5762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4984 -1.1393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6356 -2.0053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5016 -1.8682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 6 1 0 0 0 0 1 10 1 0 0 0 0 4 14 2 0 0 0 0 5 24 1 0 0 0 0 5 25 1 0 0 0 0 6 14 1 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 13 1 0 0 0 0 7 17 1 0 0 0 0 8 9 2 0 0 0 0 9 18 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 11 14 1 0 0 0 0 11 15 1 0 0 0 0 12 13 2 0 0 0 0 12 26 1 0 0 0 0 13 16 1 0 0 0 0 15 16 2 0 0 0 0 15 28 1 0 0 0 0 16 29 1 0 0 0 0 17 18 2 0 0 0 0 17 30 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 20 31 1 0 0 0 0 21 23 2 0 0 0 0 21 32 1 0 0 0 0 22 24 2 0 0 0 0 22 33 1 0 0 0 0 23 24 1 0 0 0 0 23 34 1 0 0 0 0 25 35 1 0 0 0 0 25 36 1 0 0 0 0 25 37 1 0 0 0 0 M END $$$$