BD5WT8 -OEChem-04022108092D 41 43 0 0 0 0 0 0 0999 V2000 7.8564 2.0817 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0611 2.4689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9021 1.1818 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5474 1.1307 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2686 2.8907 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1590 1.8509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6942 0.2036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2079 1.5419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7431 -0.1054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8532 1.4908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5963 0.8216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3564 0.5429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3564 -0.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8564 2.0817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1654 1.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2224 -0.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4904 -0.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3564 -2.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2224 -1.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4904 -1.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3564 -3.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6475 2.2326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8679 2.3983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7805 -0.4104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3138 0.1820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1216 2.1558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5883 1.5635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2546 -0.4871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0342 -0.6528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1078 0.4399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8874 0.2742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7551 0.9391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7594 -0.6471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9534 -0.6471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7594 -2.2671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9534 -2.2671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5208 3.4571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7364 -3.4571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3564 -4.0771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9764 -3.4571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 3 11 2 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 11 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 5 15 1 0 0 0 0 6 15 2 0 0 0 0 6 38 1 0 0 0 0 7 9 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 10 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 12 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 16 2 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 16 33 1 0 0 0 0 17 20 1 0 0 0 0 17 34 1 0 0 0 0 18 21 2 0 0 0 0 18 35 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 20 36 1 0 0 0 0 21 37 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 M END $$$$