B9HJR7 -OEChem-04022105142D 43 45 0 0 0 0 0 0 0999 V2000 3.2733 -0.8177 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.8378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3503 -4.4055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 1.8559 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8135 2.6649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2202 3.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 0.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9945 0.9423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0823 -1.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0823 -2.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3958 1.9604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5823 0.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8913 -0.8177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2147 3.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6324 4.3874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2163 -2.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9483 -2.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2163 -3.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6215 4.5965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0392 5.3010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9483 -3.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0823 -4.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0337 5.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3503 -5.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2995 3.0116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3828 2.2189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9467 0.6349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4606 1.3438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0124 2.0252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3310 2.5770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4810 -1.0093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5792 3.1814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0158 4.3226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6794 -2.5955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4853 -2.5955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2381 4.6613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6747 5.8026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4853 -4.2155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0823 -5.0255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2859 5.9719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7303 -5.4055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3503 -6.0255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9703 -5.4055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 9 1 0 0 0 0 2 8 2 0 0 0 0 3 18 1 0 0 0 0 3 24 1 0 0 0 0 4 5 1 0 0 0 0 4 8 1 0 0 0 0 4 11 1 0 0 0 0 5 6 1 0 0 0 0 5 25 1 0 0 0 0 5 26 1 0 0 0 0 6 14 2 0 0 0 0 6 15 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 9 10 1 0 0 0 0 9 13 2 0 0 0 0 10 16 2 0 0 0 0 10 17 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 13 1 0 0 0 0 12 27 1 0 0 0 0 13 31 1 0 0 0 0 14 19 1 0 0 0 0 14 32 1 0 0 0 0 15 20 2 0 0 0 0 15 33 1 0 0 0 0 16 18 1 0 0 0 0 16 34 1 0 0 0 0 17 21 2 0 0 0 0 17 35 1 0 0 0 0 18 22 2 0 0 0 0 19 23 2 0 0 0 0 19 36 1 0 0 0 0 20 23 1 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 23 40 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 M END $$$$