D06NIS -OEChem-10101305022D 42 43 0 0 0 0 0 0 0999 V2000 3.7320 0.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 5.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 4.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 1.8224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 2.5127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 2.4876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 1.7973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 3.9876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 3.2973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 0.3224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 1.0127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -1.1776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -0.4873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -0.5124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -1.2027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 5.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 3.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 6.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 5.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -5.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 8 1 0 0 0 0 2 20 1 0 0 0 0 2 42 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 21 1 0 0 0 0 3 22 1 0 0 0 0 4 6 1 0 0 0 0 4 23 1 0 0 0 0 4 24 1 0 0 0 0 5 7 1 0 0 0 0 5 25 1 0 0 0 0 5 26 1 0 0 0 0 6 27 1 0 0 0 0 6 28 1 0 0 0 0 7 11 2 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 13 2 0 0 0 0 10 14 1 0 0 0 0 11 15 1 0 0 0 0 11 33 1 0 0 0 0 12 16 2 0 0 0 0 12 34 1 0 0 0 0 13 18 1 0 0 0 0 13 35 1 0 0 0 0 14 19 2 0 0 0 0 14 36 1 0 0 0 0 15 17 2 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 17 39 1 0 0 0 0 18 20 2 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 M END $$$$