BXE81H -OEChem-04012118312D 41 41 0 1 0 0 0 0 0999 V2000 7.7331 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 4.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.4030 4.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.7500 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.7331 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7331 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7331 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6116 0.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2131 1.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1131 -4.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -4.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3531 -4.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7331 -3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3531 -3.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7331 -2.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7331 -2.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1131 -3.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7331 -3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 -0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 17 1 0 0 0 0 2 19 1 0 0 0 0 2 40 1 0 0 0 0 3 17 2 0 0 0 0 4 19 2 0 0 0 0 5 23 1 0 0 0 0 5 41 1 0 0 0 0 6 9 1 0 0 0 0 7 9 2 0 0 0 0 11 8 1 6 0 0 0 8 17 1 0 0 0 0 8 36 1 0 0 0 0 9 21 1 0 0 0 0 10 14 1 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 11 12 1 0 0 0 0 11 19 1 0 0 0 0 11 24 1 0 0 0 0 12 13 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 13 18 2 0 0 0 0 13 20 1 0 0 0 0 14 27 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 18 21 1 0 0 0 0 18 37 1 0 0 0 0 20 22 2 0 0 0 0 20 38 1 0 0 0 0 21 23 2 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 M CHG 2 6 -1 9 1 M END $$$$