BGWU68 -OEChem-04012119292D 36 39 0 0 0 0 0 0 0999 V2000 7.2764 -1.6329 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.1718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.1719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.8282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.1719 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8762 2.0838 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.1718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.1719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.6718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.3282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.3282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2764 -0.0234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.8282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8600 -0.8281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5870 0.9271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9192 1.6714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5655 1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2298 2.6219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2083 2.8282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -0.8031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -0.8031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 1.0642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 1.7545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 0.2795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -0.4108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 2.1468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 2.1468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -1.6382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4800 -0.8281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3125 1.5436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9796 0.6719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8158 3.0834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4009 3.4175 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 12 1 0 0 0 0 4 16 2 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 11 1 0 0 0 0 6 20 1 0 0 0 0 6 22 2 0 0 0 0 7 9 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 10 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 13 2 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 13 16 1 0 0 0 0 13 31 1 0 0 0 0 14 16 1 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 17 32 1 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 19 21 2 0 0 0 0 19 33 1 0 0 0 0 20 34 1 0 0 0 0 21 22 1 0 0 0 0 21 35 1 0 0 0 0 22 36 1 0 0 0 0 M END $$$$