B2R9WV -OEChem-04012116262D 44 45 0 1 0 0 0 0 0999 V2000 8.9282 -1.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4202 -1.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4202 1.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3263 -0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3263 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 -1.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 -1.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -0.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 -0.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 -1.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 -1.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -0.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -0.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -1.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2573 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4131 -1.6546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4131 1.6546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8620 -0.8329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8620 0.8329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 12 1 0 0 0 0 2 11 2 0 0 0 0 3 19 1 0 0 0 0 3 44 1 0 0 0 0 4 19 2 0 0 0 0 5 8 1 0 0 0 0 5 11 1 0 0 0 0 5 33 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 9 1 1 0 0 0 7 19 1 0 0 0 0 7 26 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 16 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 12 15 2 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 20 2 0 0 0 0 14 18 1 0 0 0 0 14 21 2 0 0 0 0 15 34 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 18 2 0 0 0 0 17 38 1 0 0 0 0 18 39 1 0 0 0 0 20 22 1 0 0 0 0 20 40 1 0 0 0 0 21 23 1 0 0 0 0 21 41 1 0 0 0 0 22 23 2 0 0 0 0 22 42 1 0 0 0 0 23 43 1 0 0 0 0 M END $$$$