BM1QS8 -OEChem-04012112492D 39 41 0 0 0 0 0 0 0999 V2000 6.4103 0.1953 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4103 1.8047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9939 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4766 2.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0781 3.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 2.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 1.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 3.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 2.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 4.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 5.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 4.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6029 2.3940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6139 1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -2.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 15 1 0 0 0 0 2 16 2 0 0 0 0 3 9 2 0 0 0 0 3 11 1 0 0 0 0 4 9 1 0 0 0 0 4 12 2 0 0 0 0 5 12 1 0 0 0 0 5 16 1 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 7 9 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 13 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 11 14 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 15 2 0 0 0 0 14 32 1 0 0 0 0 15 34 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 18 35 1 0 0 0 0 19 21 2 0 0 0 0 19 36 1 0 0 0 0 20 22 2 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 22 39 1 0 0 0 0 M END $$$$