BJ8V4Q -OEChem-04012119322D 40 43 0 0 0 0 0 0 0999 V2000 5.5838 0.2200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5544 -2.2745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9647 -2.5792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4204 -0.7745 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1056 -0.4381 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7748 -1.1812 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6166 0.6370 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0185 -1.2745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0185 -2.2745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5483 -1.7745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9647 -0.9698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1524 -0.7745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2864 -1.2745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1524 -2.7745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2864 -2.2745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5483 -1.7745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1989 1.3415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5544 -1.2745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6056 0.4279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6883 -0.7745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2044 1.4460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7867 2.1505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7976 2.3596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3800 3.0640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3854 3.1686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1573 -0.3805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1573 -3.1686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1524 -0.1545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1524 -3.3945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7495 -2.5845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5483 -2.3945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1683 -1.7745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5483 -1.1545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4204 -0.1545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4033 2.0857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1810 2.4244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7444 3.5656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1333 3.7350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8688 0.0706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 18 2 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 3 27 1 0 0 0 0 4 13 1 0 0 0 0 4 18 1 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 19 2 0 0 0 0 6 20 2 0 0 0 0 7 21 1 0 0 0 0 7 39 1 0 0 0 0 7 40 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 9 14 1 0 0 0 0 10 11 2 0 0 0 0 10 16 1 0 0 0 0 11 26 1 0 0 0 0 12 13 2 0 0 0 0 12 28 1 0 0 0 0 13 15 1 0 0 0 0 14 15 2 0 0 0 0 14 29 1 0 0 0 0 15 30 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 17 19 1 0 0 0 0 17 21 1 0 0 0 0 17 22 2 0 0 0 0 18 20 1 0 0 0 0 21 23 2 0 0 0 0 22 24 1 0 0 0 0 22 35 1 0 0 0 0 23 25 1 0 0 0 0 23 36 1 0 0 0 0 24 25 2 0 0 0 0 24 37 1 0 0 0 0 25 38 1 0 0 0 0 M END $$$$