BTWN48 -OEChem-04012118042D 42 43 0 0 0 0 0 0 0999 V2000 4.0981 -3.3560 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.7220 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 -5.0880 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.2780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.7780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.2780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.7220 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.2780 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.2220 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.7780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.7780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.7220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.7220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.7220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.7780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -4.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.7220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.7220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.7780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.7220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 1.6704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 2.3606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 2.3857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 1.6954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 0.8857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 0.1954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 3.1704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 3.8606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -2.4120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -2.4120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -4.8420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -4.0320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 5.0880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.3980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -1.0320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 0.5880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 23 1 0 0 0 0 3 23 1 0 0 0 0 4 7 1 0 0 0 0 4 12 1 0 0 0 0 5 19 1 0 0 0 0 5 39 1 0 0 0 0 6 19 2 0 0 0 0 7 15 2 0 0 0 0 8 22 1 0 0 0 0 8 24 2 0 0 0 0 9 22 2 0 0 0 0 9 25 1 0 0 0 0 10 11 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 13 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 19 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 15 22 1 0 0 0 0 16 17 1 0 0 0 0 16 20 2 0 0 0 0 16 23 1 0 0 0 0 17 35 1 0 0 0 0 18 21 2 0 0 0 0 18 36 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 21 38 1 0 0 0 0 24 26 1 0 0 0 0 24 40 1 0 0 0 0 25 26 2 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 M END $$$$