LKJR80 -OEChem-05032301453D 32 34 0 0 0 0 0 0 0999 V2000 3.8261 1.6455 -0.8472 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7841 -0.9332 0.5898 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5788 1.5796 1.0663 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7915 -2.4658 -0.0938 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5592 -0.3355 0.1594 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7728 0.5635 -0.4660 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8946 1.0280 0.5672 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0583 2.0990 0.2529 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2869 -0.6498 -1.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1041 -1.3632 1.0706 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6537 0.7134 -1.5653 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7796 -1.9612 0.6311 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2537 1.0050 0.2231 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7369 -0.2909 -0.1404 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3918 -0.1782 0.2084 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4921 0.8747 -0.0937 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4804 -1.3020 0.2098 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6068 -1.3308 -0.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8539 -0.7757 -0.7504 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7471 2.0775 0.5672 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6258 -1.1852 -1.7207 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1639 -1.2652 -0.8135 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8787 -2.1321 1.1537 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9735 -0.8930 2.0521 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7007 0.9636 -1.3659 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4666 0.8034 -2.6393 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8722 -2.4107 -0.3642 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4701 -2.7321 1.3456 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3659 -2.3742 -0.7045 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5392 1.2197 -0.5226 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7906 -1.2142 -1.0646 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3173 3.0296 0.8593 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 13 1 0 0 0 0 2 12 1 0 0 0 0 2 17 1 0 0 0 0 3 13 2 0 0 0 0 4 17 2 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 5 13 1 0 0 0 0 6 16 1 0 0 0 0 6 19 1 0 0 0 0 6 30 1 0 0 0 0 7 15 1 0 0 0 0 7 20 2 0 0 0 0 8 16 2 0 0 0 0 8 20 1 0 0 0 0 9 11 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 10 12 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 14 18 1 0 0 0 0 15 17 1 0 0 0 0 18 19 2 0 0 0 0 18 29 1 0 0 0 0 19 31 1 0 0 0 0 20 32 1 0 0 0 0 M END $$$$