BXU5K1 -OEChem-04022104592D 47 51 0 0 0 0 0 0 0999 V2000 2.0000 0.4744 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 11.9171 1.7296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2833 -1.8052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.4744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.4744 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1901 -0.0256 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6065 -0.8304 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.6846 -0.9962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0265 -2.4744 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.4744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6065 0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1901 -0.0256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.0256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.4744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6901 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.4744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8925 -1.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8061 -2.3811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.4744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.4744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.5944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7727 0.1864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0824 0.5849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.6456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3913 -0.8356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.1456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 2.2844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 0.6644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.0944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5539 -2.9475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3725 -2.6333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0582 -1.8147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.6644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.0944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.1456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 2.2844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 31 1 0 0 0 0 2 13 2 0 0 0 0 3 9 1 0 0 0 0 3 20 1 0 0 0 0 4 21 1 0 0 0 0 4 25 1 0 0 0 0 5 10 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 6 7 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 7 10 2 0 0 0 0 8 20 2 0 0 0 0 8 24 1 0 0 0 0 9 24 2 0 0 0 0 10 16 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 11 17 1 0 0 0 0 12 32 1 0 0 0 0 14 20 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 18 2 0 0 0 0 15 19 1 0 0 0 0 16 17 2 0 0 0 0 16 35 1 0 0 0 0 17 36 1 0 0 0 0 18 22 1 0 0 0 0 18 37 1 0 0 0 0 19 23 2 0 0 0 0 19 38 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 24 26 1 0 0 0 0 25 27 2 0 0 0 0 25 28 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 27 29 1 0 0 0 0 27 44 1 0 0 0 0 28 30 2 0 0 0 0 28 45 1 0 0 0 0 29 31 2 0 0 0 0 29 46 1 0 0 0 0 30 31 1 0 0 0 0 30 47 1 0 0 0 0 M END $$$$