B3QEM6 -OEChem-04012116492D 41 43 0 0 0 0 0 0 0999 V2000 8.0622 -2.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.4050 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.9282 2.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.5950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8222 -1.1297 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.9050 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.7320 1.4050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8222 0.9397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 0.4258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 -0.6158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 -1.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -1.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 0.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 0.2973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 0.9876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8150 1.5596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2639 0.7379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2639 -0.9279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -2.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 40 1 0 0 0 0 2 11 2 0 0 0 0 3 7 1 0 0 0 0 4 7 2 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 5 18 1 0 0 0 0 6 13 1 0 0 0 0 6 23 2 0 0 0 0 7 15 1 0 0 0 0 8 27 3 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 9 16 2 0 0 0 0 10 17 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 12 13 1 0 0 0 0 12 15 2 0 0 0 0 12 19 1 0 0 0 0 13 14 2 0 0 0 0 15 16 1 0 0 0 0 16 30 1 0 0 0 0 17 20 2 0 0 0 0 17 21 1 0 0 0 0 18 27 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 19 22 2 0 0 0 0 19 33 1 0 0 0 0 20 24 1 0 0 0 0 20 34 1 0 0 0 0 21 25 2 0 0 0 0 21 35 1 0 0 0 0 22 23 1 0 0 0 0 22 36 1 0 0 0 0 23 37 1 0 0 0 0 24 26 2 0 0 0 0 24 38 1 0 0 0 0 25 26 1 0 0 0 0 25 39 1 0 0 0 0 26 41 1 0 0 0 0 M CHG 2 3 -1 7 1 M END $$$$