B7QS8U -OEChem-04022105002D 40 42 0 0 0 0 0 0 0999 V2000 2.3337 -0.3648 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.4616 -4.3648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2572 4.6769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7296 -2.3648 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5956 -0.8648 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5056 0.6420 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6116 2.2044 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3816 2.1803 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6067 -2.1201 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8418 2.1666 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8636 0.1352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8636 -0.8648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7296 0.6352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7296 -1.3648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5956 0.1352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9173 -1.1696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9173 0.4399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7135 1.6767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5956 -2.8648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5136 1.6836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5956 -3.8648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3854 3.1803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2534 3.6769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7247 1.0292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1927 -2.6748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2062 -2.9725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8077 -2.2822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9173 1.8682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9850 -3.7572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3835 -4.4474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1756 3.7637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7744 3.0750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.2480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0207 -2.5816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8346 2.7866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3085 1.8504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4632 3.0935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8644 3.7822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4616 -4.9848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7954 4.9848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 2 21 1 0 0 0 0 2 39 1 0 0 0 0 3 23 1 0 0 0 0 3 40 1 0 0 0 0 4 14 1 0 0 0 0 4 19 1 0 0 0 0 4 25 1 0 0 0 0 5 14 2 0 0 0 0 5 15 1 0 0 0 0 6 15 2 0 0 0 0 6 20 1 0 0 0 0 7 18 1 0 0 0 0 7 20 2 0 0 0 0 8 20 1 0 0 0 0 8 22 1 0 0 0 0 8 28 1 0 0 0 0 9 16 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 18 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 17 2 0 0 0 0 12 14 1 0 0 0 0 12 16 2 0 0 0 0 13 15 1 0 0 0 0 13 18 2 0 0 0 0 17 24 1 0 0 0 0 19 21 1 0 0 0 0 19 26 1 0 0 0 0 19 27 1 0 0 0 0 21 29 1 0 0 0 0 21 30 1 0 0 0 0 22 23 1 0 0 0 0 22 31 1 0 0 0 0 22 32 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 M END $$$$