BJGS53 -OEChem-04012116092D 43 45 0 1 0 0 0 0 0999 V2000 4.7320 2.8660 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.8660 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.3660 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.8660 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.1340 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.3660 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 1.1340 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2320 2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6962 -2.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6962 -2.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.1340 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7320 0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2320 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2320 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1135 -2.5200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5885 -3.3426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8038 -3.3426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2788 -2.5200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.9860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.7460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -2.3410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 -2.3410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7571 2.3985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7571 1.6015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.0560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 1.1709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 0.3240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 0.0970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8397 3.4766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1494 3.0781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -1.6760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5420 2.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5420 1.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 24 1 0 0 0 0 2 12 1 0 0 0 0 3 12 1 0 0 0 0 4 19 1 0 0 0 0 5 22 1 0 0 0 0 6 9 1 0 0 0 0 6 13 1 0 0 0 0 6 30 1 0 0 0 0 7 15 1 0 0 0 0 7 24 2 0 0 0 0 8 24 1 0 0 0 0 8 42 1 0 0 0 0 8 43 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 12 29 1 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 17 2 0 0 0 0 14 19 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 15 20 1 1 0 0 0 16 17 1 0 0 0 0 16 22 2 0 0 0 0 17 35 1 0 0 0 0 18 21 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 19 23 2 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 23 41 1 0 0 0 0 M END $$$$