B1QPW2 -OEChem-04022107092D 42 44 0 0 0 0 0 0 0999 V2000 7.1962 -0.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.6900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.6900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6065 0.4947 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6065 -1.1147 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1901 -0.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 1.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 1.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -1.3926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -0.7023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 0.7726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 0.0823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -1.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -1.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -0.7023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -1.3926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 1.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 1.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -0.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 -0.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3913 -1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8101 -0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 2 0 0 0 0 2 14 1 0 0 0 0 2 15 1 0 0 0 0 2 37 1 0 0 0 0 3 15 1 0 0 0 0 3 16 1 0 0 0 0 3 38 1 0 0 0 0 4 6 1 0 0 0 0 4 19 2 0 0 0 0 5 6 1 0 0 0 0 5 20 2 0 0 0 0 6 42 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 7 22 1 0 0 0 0 8 10 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 9 11 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 12 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 17 39 1 0 0 0 0 18 21 2 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 41 1 0 0 0 0 M END $$$$