B8M3QP -OEChem-04022105352D 39 39 0 1 0 0 0 0 0999 V2000 5.4641 0.1900 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 4.9641 1.0560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 -0.6760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.8100 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8660 -4.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.6900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.3100 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.3301 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.3100 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3301 1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.1900 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7320 -1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 0.1074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 0.7977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1181 2.2726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7196 1.5823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2741 1.5930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9781 -4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2181 -4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 2 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 2 31 1 0 0 0 0 3 12 1 0 0 0 0 3 32 1 0 0 0 0 5 21 1 0 0 0 0 5 39 1 0 0 0 0 6 21 2 0 0 0 0 7 10 1 0 0 0 0 8 10 2 0 0 0 0 15 9 1 1 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 18 1 0 0 0 0 11 13 1 0 0 0 0 11 23 1 0 0 0 0 11 24 1 0 0 0 0 12 14 1 0 0 0 0 12 25 1 0 0 0 0 13 15 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 15 21 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 17 20 2 0 0 0 0 17 30 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 22 1 0 0 0 0 20 33 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 M CHG 2 7 -1 10 1 M END $$$$