D04LBT -OEChem-10101305022D 79 80 0 1 0 0 0 0 0999 V2000 5.2552 -1.5122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8225 -2.1098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8225 0.7696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3377 1.4619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4545 -2.2526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9544 -3.2179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8965 0.8299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6286 0.8299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0927 -0.1701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0305 -0.6701 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.3606 -0.1701 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1949 -0.1701 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1949 -1.1701 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2552 0.1719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8377 -1.9362 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0815 1.1567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8377 0.5959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1418 1.4987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6885 0.2696 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0305 -0.6701 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8377 -2.9362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9682 2.4835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6885 -1.6098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0305 1.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0285 2.8255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6125 -2.2783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6276 -2.1046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9848 -2.8706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8549 3.8103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8965 -0.1701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3269 -3.8103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7626 -0.6701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6286 -0.1701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7626 -1.6701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4946 -0.6701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6286 -2.1701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4946 -1.6701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2267 -0.6701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6870 -0.5258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6870 -0.8145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6352 0.1719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1475 -0.4387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2362 -2.4111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7015 1.1567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1892 1.7673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5218 1.4987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0342 0.8881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4764 0.8522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3861 -0.1623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2177 -2.9362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8377 -3.5562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4577 -2.9362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5882 2.4835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0759 3.0941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6131 0.9972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2426 1.7919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4479 1.4213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4085 2.8255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9208 2.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3405 -1.2071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8396 -1.5220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0907 -1.7946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5863 -3.3456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4654 3.9180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7472 4.4209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2443 3.7027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1077 -2.0864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -2.5893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8923 -3.3075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7443 -4.0224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5390 -4.3930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9095 -3.5983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2256 -1.9801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6286 -2.7901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0316 -1.9801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1655 1.1399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3606 0.4499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2267 -1.2901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13 1 1 6 0 0 0 1 26 1 0 0 0 0 2 15 1 0 0 0 0 2 23 1 0 0 0 0 3 17 1 0 0 0 0 3 19 1 0 0 0 0 4 17 2 0 0 0 0 5 23 2 0 0 0 0 6 26 2 0 0 0 0 7 30 2 0 0 0 0 8 34 1 0 0 0 0 8 77 1 0 0 0 0 9 39 2 0 0 0 0 20 10 1 6 0 0 0 10 30 1 0 0 0 0 10 61 1 0 0 0 0 11 36 1 0 0 0 0 11 39 1 0 0 0 0 11 78 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 1 0 0 0 12 17 1 0 0 0 0 12 40 1 0 0 0 0 13 15 1 0 0 0 0 13 41 1 0 0 0 0 14 16 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 21 1 1 0 0 0 15 44 1 0 0 0 0 16 18 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 18 22 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 19 20 1 0 0 0 0 19 24 1 6 0 0 0 19 49 1 0 0 0 0 20 23 1 0 0 0 0 20 50 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 21 53 1 0 0 0 0 22 25 1 0 0 0 0 22 54 1 0 0 0 0 22 55 1 0 0 0 0 24 56 1 0 0 0 0 24 57 1 0 0 0 0 24 58 1 0 0 0 0 25 29 1 0 0 0 0 25 59 1 0 0 0 0 25 60 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 62 1 0 0 0 0 27 63 1 0 0 0 0 28 31 1 0 0 0 0 28 32 1 0 0 0 0 28 64 1 0 0 0 0 29 65 1 0 0 0 0 29 66 1 0 0 0 0 29 67 1 0 0 0 0 30 33 1 0 0 0 0 31 68 1 0 0 0 0 31 69 1 0 0 0 0 31 70 1 0 0 0 0 32 71 1 0 0 0 0 32 72 1 0 0 0 0 32 73 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 34 36 1 0 0 0 0 35 37 2 0 0 0 0 35 74 1 0 0 0 0 36 38 2 0 0 0 0 37 38 1 0 0 0 0 37 75 1 0 0 0 0 38 76 1 0 0 0 0 39 79 1 0 0 0 0 M END $$$$