BU9QK8 -OEChem-04022103052D 42 45 0 0 0 0 0 0 0999 V2000 9.7166 1.5132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -1.1618 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0747 0.0060 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 2.0407 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2957 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8448 0.0165 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5769 0.0098 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 0.5407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 0.0407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 0.5407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 0.0407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 1.5407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 1.5407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 -0.9539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9808 0.5198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0747 2.0753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 0.4474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9808 1.5615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0933 -2.0753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7128 0.5132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4448 0.5065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4487 1.5065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3089 0.0032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3166 2.0031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1769 0.4998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1807 1.4998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -0.5793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9118 1.8507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9389 -1.3687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0675 2.6953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5402 1.0538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5165 1.8735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8425 -0.6035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5269 -1.8231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8411 -2.6417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6597 -2.3275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5745 -0.6102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9130 1.8186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3065 -0.6168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3190 2.6231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7126 0.1877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7189 1.8077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 2 0 0 0 0 2 5 1 0 0 0 0 2 14 1 0 0 0 0 2 19 1 0 0 0 0 3 10 1 0 0 0 0 3 15 2 0 0 0 0 4 12 1 0 0 0 0 4 13 2 0 0 0 0 5 17 2 0 0 0 0 6 15 1 0 0 0 0 6 20 1 0 0 0 0 6 33 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 8 11 2 0 0 0 0 8 13 1 0 0 0 0 9 14 2 0 0 0 0 9 17 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 11 27 1 0 0 0 0 12 16 1 0 0 0 0 13 28 1 0 0 0 0 14 29 1 0 0 0 0 15 18 1 0 0 0 0 16 18 2 0 0 0 0 16 30 1 0 0 0 0 17 31 1 0 0 0 0 18 32 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 22 38 1 0 0 0 0 23 25 2 0 0 0 0 23 39 1 0 0 0 0 24 26 2 0 0 0 0 24 40 1 0 0 0 0 25 26 1 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 M END $$$$