CDK 1018121544 77 83 0 0 0 0 0 0 0 0999 V2000 28.8708 0.7750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 28.8708 -0.0500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 29.5829 -0.4583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 30.2949 -0.0500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 30.2949 0.7750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 29.5829 1.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.0105 1.1854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.5829 -1.2833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.1552 1.1854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.1527 2.0104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.0087 -0.4635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.1570 -0.4635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.7238 0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.4395 1.1812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.1527 0.7666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.1490 -0.0594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.8614 -0.4739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.5780 -0.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.5778 0.7658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.8648 1.1766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.2920 1.1787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 35.2919 -0.4771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.0075 -1.2885 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 30.2921 -1.6989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.2889 -2.5203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.0009 -2.9377 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 31.7178 -2.5275 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 31.7227 -1.6999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.7167 -0.8708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 32.4380 -1.2889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 32.4303 -2.9435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.9966 -3.7627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.8684 -1.6958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 28.1527 -1.2835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.4404 -1.6925 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 27.4361 -2.5178 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 28.1504 -2.9325 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 28.8690 -2.5218 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 28.8625 -0.8708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.5827 -2.9356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.1476 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0 0 0 0 0 0 0 29.5814 4.4808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.1489 3.6551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.0114 3.6551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.0083 -2.5120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.4292 -3.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.7212 -2.9272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.2923 -2.9218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2892 -3.7468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5732 -4.1566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8640 -3.7377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1485 -4.1468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1449 -4.9727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8628 -5.3877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5754 -4.9763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4294 -5.3834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4358 -3.7313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 18 19 1 0 0 0 0 33 39 1 6 0 0 0 2 3 1 0 0 0 0 38 40 1 6 0 0 0 19 20 2 0 0 0 0 37 41 1 1 0 0 0 20 15 1 0 0 0 0 35 42 1 1 0 0 0 9 10 1 0 0 0 0 42 43 1 0 0 0 0 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