BWK6O9 -OEChem-04012116472D 42 45 0 0 0 0 0 0 0999 V2000 2.0000 -0.7094 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.8301 3.3294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8269 2.7385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.7094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3621 1.0912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8301 3.3294 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.7906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.7906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.7094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1391 2.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.2906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.2906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5211 2.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0902 2.0694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.7094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.7094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8334 2.7385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2981 1.0912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.7094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5700 2.0694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7844 2.4295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2492 0.7822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9923 1.4513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 0.6006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.6006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.8294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.0194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.0894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.5194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7044 3.3449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8374 0.6763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.3294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2452 2.8443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3781 0.1757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5820 1.2597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2372 2.5469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.3294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 6 1 0 0 0 0 2 10 1 0 0 0 0 3 24 1 0 0 0 0 3 41 1 0 0 0 0 4 25 1 0 0 0 0 4 42 1 0 0 0 0 5 24 2 0 0 0 0 6 14 2 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 13 2 0 0 0 0 8 10 2 0 0 0 0 8 14 1 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 9 16 1 0 0 0 0 10 15 1 0 0 0 0 11 29 1 0 0 0 0 12 18 2 0 0 0 0 12 19 1 0 0 0 0 13 17 1 0 0 0 0 13 30 1 0 0 0 0 14 24 1 0 0 0 0 15 20 2 0 0 0 0 15 21 1 0 0 0 0 16 17 2 0 0 0 0 16 31 1 0 0 0 0 17 32 1 0 0 0 0 18 22 1 0 0 0 0 18 33 1 0 0 0 0 19 23 2 0 0 0 0 19 34 1 0 0 0 0 20 26 1 0 0 0 0 20 35 1 0 0 0 0 21 27 2 0 0 0 0 21 36 1 0 0 0 0 22 25 2 0 0 0 0 23 25 1 0 0 0 0 23 37 1 0 0 0 0 26 28 2 0 0 0 0 26 38 1 0 0 0 0 27 28 1 0 0 0 0 27 39 1 0 0 0 0 28 40 1 0 0 0 0 M END $$$$