B1BXO5 -OEChem-04022108322D 36 37 0 0 0 0 0 0 0999 V2000 5.1350 -0.7500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.1350 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1350 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 2.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.7331 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.7500 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.1350 -1.7500 0.0000 C 0 0 0 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 4.2690 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -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 6.0010 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2131 0.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6116 0.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -1.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 -1.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 -1.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -4.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 4.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 7 1 0 0 0 0 1 9 1 0 0 0 0 4 16 1 0 0 0 0 4 36 1 0 0 0 0 5 8 1 0 0 0 0 6 8 2 0 0 0 0 7 10 1 0 0 0 0 7 25 1 0 0 0 0 8 14 1 0 0 0 0 9 11 1 0 0 0 0 9 13 2 0 0 0 0 10 12 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 12 14 1 0 0 0 0 12 17 2 0 0 0 0 13 18 1 0 0 0 0 13 26 1 0 0 0 0 14 20 2 0 0 0 0 15 19 1 0 0 0 0 15 27 1 0 0 0 0 16 28 1 0 0 0 0 16 29 1 0 0 0 0 17 21 1 0 0 0 0 17 30 1 0 0 0 0 18 19 2 0 0 0 0 18 31 1 0 0 0 0 19 32 1 0 0 0 0 20 22 1 0 0 0 0 20 33 1 0 0 0 0 21 22 2 0 0 0 0 21 34 1 0 0 0 0 22 35 1 0 0 0 0 M CHG 2 5 -1 8 1 M END $$$$