BO2R8Q -OEChem-04012113272D 45 46 0 0 0 0 0 0 0999 V2000 3.6180 0.8757 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1549 -0.8435 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6549 0.6953 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 1.4635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3090 -0.0753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.8757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3090 -0.0753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5691 1.1847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3122 0.5156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2633 0.8246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0064 0.1555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9575 0.4645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7006 -0.2046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6517 0.1044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3948 -0.5647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3459 -0.2557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6549 0.6953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9639 -0.2557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2239 1.9242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3942 1.9242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2442 -0.6919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9155 -0.2042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 1.4126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4336 0.6235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7026 -0.2042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3738 -0.6919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0577 1.5664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2780 1.7322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8237 0.1339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6033 -0.0318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7519 1.2063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9722 1.3720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5179 -0.2262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2975 -0.3919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4461 0.8462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6664 1.0119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2121 -0.5863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9917 -0.7520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1403 0.4861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3606 0.6518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9063 -0.9464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6859 -1.1122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1549 -1.4635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2905 1.1969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5536 -0.4473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 8 1 0 0 0 0 2 16 1 0 0 0 0 2 18 1 0 0 0 0 2 43 1 0 0 0 0 3 17 1 0 0 0 0 3 18 2 0 0 0 0 4 6 1 0 0 0 0 4 19 1 0 0 0 0 4 20 1 0 0 0 0 5 7 1 0 0 0 0 5 21 1 0 0 0 0 5 22 1 0 0 0 0 6 7 1 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 9 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 17 2 0 0 0 0 17 44 1 0 0 0 0 18 45 1 0 0 0 0 M END $$$$