BQL3O1 -OEChem-04012118052D 44 45 0 0 0 0 0 0 0999 V2000 8.0052 5.0684 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.0194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.4806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.0194 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.4806 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3871 5.0684 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.9806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.9806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -6.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6962 6.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6962 6.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 0.5632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -0.1271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 -0.1020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 0.5882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 -1.6020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 -0.9118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 2.0632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 1.3729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -0.9368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -1.6271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 1.3980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 2.0882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -2.7094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 3.1706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.2094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.2094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -5.8294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -5.8294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -6.6394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0606 6.5210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3317 6.5210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 22 1 0 0 0 0 2 13 2 0 0 0 0 3 14 2 0 0 0 0 4 13 1 0 0 0 0 4 15 1 0 0 0 0 4 36 1 0 0 0 0 5 14 1 0 0 0 0 5 16 1 0 0 0 0 5 37 1 0 0 0 0 6 16 2 0 0 0 0 6 23 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 10 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 11 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 12 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 13 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 14 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 17 19 1 0 0 0 0 17 38 1 0 0 0 0 18 20 2 0 0 0 0 18 39 1 0 0 0 0 19 21 2 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 21 42 1 0 0 0 0 22 23 2 0 0 0 0 22 43 1 0 0 0 0 23 44 1 0 0 0 0 M END $$$$