B8GKJ5 -OEChem-04012119282D 43 46 0 0 0 0 0 0 0999 V2000 7.2764 -3.1618 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.3570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.3570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.3570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1403 4.1508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.3570 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.8570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.3570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.3570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.1430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.8570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.8570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.8570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.8570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.3570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2764 -1.5523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8600 -2.3570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5870 -0.6018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2083 1.2993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8977 0.3487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5405 2.0436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1868 1.5055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8297 3.2003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8512 2.9941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4975 2.4560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1188 4.3570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -2.3320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -2.3320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -0.4647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 0.2256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -1.2494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -1.9396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 0.6179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 0.6179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -3.1670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4800 -2.3570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9338 1.9157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6009 1.0440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4371 3.4556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1042 2.5838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2467 3.7504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7255 4.4849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9910 4.9637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 17 1 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 3 11 1 0 0 0 0 3 13 1 0 0 0 0 4 15 2 0 0 0 0 5 23 1 0 0 0 0 5 26 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 27 1 0 0 0 0 7 28 1 0 0 0 0 8 10 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 12 2 0 0 0 0 12 15 1 0 0 0 0 12 35 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 17 36 1 0 0 0 0 18 20 3 0 0 0 0 19 20 1 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 21 24 1 0 0 0 0 21 37 1 0 0 0 0 22 25 2 0 0 0 0 22 38 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 24 39 1 0 0 0 0 25 40 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 M END $$$$