BIAU87 -OEChem-04022105222D 39 40 0 0 0 0 0 0 0999 V2000 3.7320 2.7780 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -5.2220 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 -5.5880 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 -3.8560 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 2.7780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7320 2.7780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.2220 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.7780 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 5.2780 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.7780 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.7780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.7220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.7220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.7220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.7220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 1.5880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.5880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -0.0320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.0320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.5320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.9120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.9120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.3420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.5320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 5.5880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 5.5880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 4.0880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.1580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 9 1 0 0 0 0 1 13 1 0 0 0 0 2 25 1 0 0 0 0 3 25 1 0 0 0 0 4 25 1 0 0 0 0 7 20 2 0 0 0 0 8 12 1 0 0 0 0 8 20 1 0 0 0 0 8 31 1 0 0 0 0 9 26 2 0 0 0 0 10 26 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 26 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 17 2 0 0 0 0 12 18 1 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 14 20 1 0 0 0 0 14 21 2 0 0 0 0 14 22 1 0 0 0 0 15 17 1 0 0 0 0 15 27 1 0 0 0 0 16 18 2 0 0 0 0 16 28 1 0 0 0 0 17 29 1 0 0 0 0 18 30 1 0 0 0 0 19 21 1 0 0 0 0 19 23 2 0 0 0 0 19 25 1 0 0 0 0 21 32 1 0 0 0 0 22 24 2 0 0 0 0 22 33 1 0 0 0 0 23 24 1 0 0 0 0 23 34 1 0 0 0 0 24 35 1 0 0 0 0 M END $$$$