B9WXG6 -OEChem-04022110252D 38 40 0 1 0 0 0 0 0999 V2000 4.4487 -0.7084 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.0134 2.4334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9487 -1.5745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9487 0.1576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3037 0.0468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5766 -1.7084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 -0.2084 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.9930 -2.5132 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 0.7861 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5000 0.9940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 -0.6152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.1280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2213 1.4552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -1.2084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -0.7084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -2.2084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 -1.2084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 -2.2084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -2.7084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7565 3.1025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9930 -0.9037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5766 -1.7084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0570 0.5639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6916 1.5836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9336 1.2462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1675 -0.9796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9791 -1.1521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4984 0.4924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5851 -0.3328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5498 0.9294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7962 1.6875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -0.0884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7778 -2.5184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -3.3284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1714 2.6417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2173 3.5174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3417 3.5632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1856 -3.1025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 7 1 0 0 0 0 1 14 1 0 0 0 0 2 13 1 0 0 0 0 2 20 1 0 0 0 0 5 21 2 0 0 0 0 6 22 2 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 8 18 1 0 0 0 0 8 22 1 0 0 0 0 8 38 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 1 0 0 0 9 23 1 0 0 0 0 10 12 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 11 12 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 32 1 0 0 0 0 16 19 2 0 0 0 0 16 33 1 0 0 0 0 17 18 2 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 19 34 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 M END $$$$