B76DOK -OEChem-04012117032D 41 43 0 0 0 0 0 0 0999 V2000 5.4718 0.5154 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.8699 0.9879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6019 -1.0121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9751 1.3834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9684 -0.3525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8699 -1.0121 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3397 1.0121 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1099 -1.0467 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7359 0.4879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7359 -0.5121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0038 0.4879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7359 0.4879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2359 1.3540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0038 -0.5121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1099 1.0226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2038 0.5087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2038 -0.5329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6038 0.0188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7398 0.5221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6000 -0.9812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -0.9746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8718 0.0254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.4779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.4712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7359 -0.1321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3559 0.4879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7359 1.1079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7728 1.0440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5459 1.8909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6989 1.6640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8699 -1.6321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1171 1.6426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3421 1.6321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6681 -0.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7421 1.1421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1357 -1.2933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3361 0.3375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7296 -2.0979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6921 -0.9331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4619 -1.7791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3079 -2.0093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 7 1 0 0 0 0 1 18 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 6 10 1 0 0 0 0 6 14 1 0 0 0 0 6 31 1 0 0 0 0 7 16 1 0 0 0 0 7 33 1 0 0 0 0 8 14 1 0 0 0 0 8 17 2 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 11 14 2 0 0 0 0 11 15 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 15 16 2 0 0 0 0 15 32 1 0 0 0 0 16 17 1 0 0 0 0 17 34 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 19 22 1 0 0 0 0 19 35 1 0 0 0 0 20 23 2 0 0 0 0 20 36 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 22 37 1 0 0 0 0 23 38 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 M END $$$$