B6YQR3 -OEChem-04022108372D 45 47 0 0 0 0 0 0 0999 V2000 8.6512 2.1904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.3091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2976 1.6524 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0084 -1.1138 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5920 -0.3091 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.3091 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.6909 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.3091 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0084 0.4956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6082 2.6029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9654 0.9081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.1909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3191 1.4462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.8091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5867 2.8091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9439 1.1143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3191 -2.0644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.8091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.1909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.8091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.3091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.8091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.3091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.8091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.3091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5877 3.2226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9944 2.6902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4391 0.5804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1967 0.3328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7146 2.2024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1934 2.9370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4589 3.4158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0718 0.5076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5506 1.2421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8161 1.7210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7297 -2.2570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5117 -2.6537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9084 -1.8718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 0.5009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -0.3342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 -0.3342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.1891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.9991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.4291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.6191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 2 0 0 0 0 2 18 1 0 0 0 0 2 20 1 0 0 0 0 3 10 1 0 0 0 0 3 11 1 0 0 0 0 3 13 1 0 0 0 0 4 5 1 0 0 0 0 4 14 1 0 0 0 0 4 17 1 0 0 0 0 5 9 2 0 0 0 0 6 14 2 0 0 0 0 6 18 1 0 0 0 0 7 12 2 0 0 0 0 7 19 1 0 0 0 0 8 21 1 0 0 0 0 8 24 2 0 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 10 15 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 16 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 14 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 19 2 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 23 25 2 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 25 45 1 0 0 0 0 M END $$$$