BB6P8L -OEChem-04022104552D 37 38 0 0 0 0 0 0 0999 V2000 5.4641 2.9400 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.0600 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.9400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.4400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.4400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 3.4150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 3.4150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 3.4769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 3.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 2.4031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6728 -0.6677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2742 0.0226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 -1.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -1.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 -3.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -3.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -4.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 13 1 0 0 0 0 2 12 1 0 0 0 0 2 16 1 0 0 0 0 3 20 2 0 0 0 0 4 13 1 0 0 0 0 4 20 1 0 0 0 0 4 34 1 0 0 0 0 5 13 2 0 0 0 0 5 16 1 0 0 0 0 6 16 2 0 0 0 0 6 20 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 21 1 0 0 0 0 7 22 1 0 0 0 0 8 10 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 12 1 0 0 0 0 11 14 2 0 0 0 0 11 15 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 14 17 1 0 0 0 0 14 32 1 0 0 0 0 15 18 2 0 0 0 0 15 33 1 0 0 0 0 17 19 2 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 19 37 1 0 0 0 0 M END $$$$