BO3D5E -OEChem-04012116242D 44 46 0 1 0 0 0 0 0999 V2000 5.4641 0.5000 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 5.4641 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6822 3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4422 3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4842 -0.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1042 0.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 5 1 0 0 0 0 1 8 1 0 0 0 0 3 9 2 0 0 0 0 3 22 1 0 0 0 0 4 21 1 0 0 0 0 4 22 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 25 1 0 0 0 0 6 10 2 0 0 0 0 6 12 1 0 0 0 0 7 11 2 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 14 1 0 0 0 0 10 15 1 0 0 0 0 10 28 1 0 0 0 0 11 16 1 0 0 0 0 11 29 1 0 0 0 0 12 17 2 0 0 0 0 12 30 1 0 0 0 0 13 18 2 0 0 0 0 13 31 1 0 0 0 0 14 21 2 0 0 0 0 14 32 1 0 0 0 0 15 19 2 0 0 0 0 15 33 1 0 0 0 0 16 20 2 0 0 0 0 16 34 1 0 0 0 0 17 19 1 0 0 0 0 17 35 1 0 0 0 0 18 20 1 0 0 0 0 18 36 1 0 0 0 0 19 37 1 0 0 0 0 20 38 1 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 M END $$$$