BE4MJ7 -OEChem-04012118072D 42 45 0 0 0 0 0 0 0999 V2000 8.1301 -0.4806 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -0.4806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 2.5194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -0.5047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9391 -2.0684 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3211 -2.0684 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 1.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5320 1.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5320 0.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 1.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 0.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 1.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6381 1.5541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6381 -0.5152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.0402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 1.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 2.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -1.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 1.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 3.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 2.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6301 -3.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8902 -1.7594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6301 -3.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6453 2.1740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6453 -1.1352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1963 1.3523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 0.3994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5932 2.8294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3991 1.2094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 3.6394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3991 2.8294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9946 -3.5210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0818 -2.3490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4799 -1.5678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6986 -1.1697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2657 -3.5210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3079 0.5301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4619 0.2999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6921 -0.5462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 19 1 0 0 0 0 2 9 1 0 0 0 0 2 11 1 0 0 0 0 3 10 2 0 0 0 0 4 15 1 0 0 0 0 4 26 1 0 0 0 0 5 19 1 0 0 0 0 5 23 1 0 0 0 0 5 24 1 0 0 0 0 6 19 2 0 0 0 0 6 25 1 0 0 0 0 7 10 1 0 0 0 0 7 11 2 0 0 0 0 7 12 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 9 14 1 0 0 0 0 12 17 2 0 0 0 0 12 18 1 0 0 0 0 13 16 2 0 0 0 0 13 27 1 0 0 0 0 14 15 2 0 0 0 0 14 28 1 0 0 0 0 15 16 1 0 0 0 0 16 29 1 0 0 0 0 17 20 1 0 0 0 0 17 30 1 0 0 0 0 18 21 2 0 0 0 0 18 31 1 0 0 0 0 20 22 2 0 0 0 0 20 32 1 0 0 0 0 21 22 1 0 0 0 0 21 33 1 0 0 0 0 22 34 1 0 0 0 0 23 25 2 0 0 0 0 23 35 1 0 0 0 0 24 36 1 0 0 0 0 24 37 1 0 0 0 0 24 38 1 0 0 0 0 25 39 1 0 0 0 0 26 40 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 M END $$$$