B1QE3X -OEChem-04022105352D 39 39 0 1 0 0 0 0 0999 V2000 6.3301 -0.3450 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 4.5981 4.6550 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 3.6550 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.5981 3.6550 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 -0.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3301 -0.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -4.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.1550 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8660 3.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.6550 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.3301 -1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.6550 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.1962 -1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.8450 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4641 2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -3.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7196 -1.2373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1181 -1.9276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 -1.9527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 -1.2624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 -2.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6401 -0.8819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 0.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -3.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -4.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 7 2 0 0 0 0 1 14 1 0 0 0 0 1 15 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 5 34 1 0 0 0 0 6 15 1 0 0 0 0 6 35 1 0 0 0 0 8 24 1 0 0 0 0 8 39 1 0 0 0 0 9 24 2 0 0 0 0 10 13 1 0 0 0 0 11 13 2 0 0 0 0 18 12 1 1 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 22 1 0 0 0 0 14 16 1 0 0 0 0 14 26 1 0 0 0 0 14 27 1 0 0 0 0 15 17 1 0 0 0 0 15 28 1 0 0 0 0 16 18 1 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 18 24 1 0 0 0 0 18 31 1 0 0 0 0 19 21 1 0 0 0 0 19 32 1 0 0 0 0 20 23 2 0 0 0 0 20 33 1 0 0 0 0 21 22 2 0 0 0 0 21 25 1 0 0 0 0 22 23 1 0 0 0 0 23 36 1 0 0 0 0 M CHG 2 10 -1 13 1 M END $$$$