B1TIE8 -OEChem-04022109392D 53 57 0 1 0 0 0 0 0999 V2000 2.0863 2.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 2.6660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5780 -2.4225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7922 -0.4340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9406 -0.7952 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7314 -1.7670 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0746 -0.2952 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8066 -0.2952 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6043 -1.2760 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3376 -0.9622 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7427 -1.8700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0746 0.7048 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8066 0.7048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4117 -1.8659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9406 1.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1526 1.0601 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4543 -0.5195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3643 0.4645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3264 -1.4615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0135 2.0504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1338 -2.0514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0484 -1.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8559 -2.2370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1556 -0.6528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7705 -1.8326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0702 -0.2485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8776 -0.8384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2895 -1.3415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9892 -2.5770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7841 -1.0940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6522 -0.3815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5675 -1.8949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7232 -1.5496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1531 -2.0618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8714 -2.4765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0085 1.5523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3436 1.0148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9646 -2.2954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7571 -2.3808 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9406 1.8248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5797 1.2970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9421 -0.8688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7973 0.7152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7735 -1.0320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9810 -0.9466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6867 -2.4810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4792 -2.5663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.0390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7895 -2.8534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6549 -0.2871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1366 0.3679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5116 -3.0390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8587 0.1824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 48 1 0 0 0 0 2 20 2 0 0 0 0 3 25 1 0 0 0 0 3 52 1 0 0 0 0 4 27 1 0 0 0 0 4 53 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 28 1 1 0 0 0 6 9 1 0 0 0 0 6 11 1 0 0 0 0 6 29 1 1 0 0 0 7 10 1 0 0 0 0 7 12 1 0 0 0 0 7 30 1 1 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 8 31 1 1 0 0 0 9 14 1 1 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 17 1 0 0 0 0 10 33 1 6 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 15 1 0 0 0 0 12 16 1 0 0 0 0 12 36 1 1 0 0 0 13 15 2 0 0 0 0 13 37 1 0 0 0 0 14 19 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 40 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 1 0 0 0 16 41 1 0 0 0 0 17 18 2 0 0 0 0 17 42 1 0 0 0 0 18 43 1 0 0 0 0 19 21 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 23 25 1 0 0 0 0 23 49 1 0 0 0 0 24 26 2 0 0 0 0 24 50 1 0 0 0 0 25 27 2 0 0 0 0 26 27 1 0 0 0 0 26 51 1 0 0 0 0 M END $$$$