BS3DW8 -OEChem-04012113193D 43 45 0 0 0 0 0 0 0999 V2000 -2.7424 -2.6228 2.0458 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.8648 2.6258 0.5962 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6346 0.0666 -1.2098 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8698 -4.1039 0.8639 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0831 -1.2722 -0.7815 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2212 -1.2385 -1.2178 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3834 0.8845 -0.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4792 0.0645 -0.4966 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9519 0.5230 -1.6035 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9207 -2.4812 -0.6343 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6686 0.6573 -0.0281 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4178 2.2734 -0.6058 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1117 -2.3403 -1.6417 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8972 0.5478 -0.4329 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7175 2.0453 0.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6082 2.8390 -0.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7983 -3.1029 0.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6507 -0.5804 -0.1381 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0032 1.6982 0.3368 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5269 -0.5575 0.9470 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8794 1.7210 1.4219 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6414 0.5932 1.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9644 1.7601 0.8699 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8555 1.5232 -2.0429 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3384 -0.0957 -2.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6490 -3.2305 -1.3874 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9731 -2.2392 -0.8301 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5054 -0.0008 0.1672 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4256 2.9100 -0.8438 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6981 -2.7058 -0.7941 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5274 -3.1903 -2.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7839 -2.0752 -2.4601 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6638 3.9168 -0.0055 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6020 -1.4734 -0.7509 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4358 2.5929 0.1067 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1260 -1.4329 1.1799 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9722 2.6185 2.0264 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3257 0.6119 2.5701 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2957 -4.4034 0.0826 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7210 -4.5816 1.7465 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7896 2.3880 1.2215 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7335 1.0571 1.6776 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3142 1.2534 -0.0361 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 2 0 0 0 0 2 15 1 0 0 0 0 2 23 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 3 9 1 0 0 0 0 4 17 1 0 0 0 0 4 39 1 0 0 0 0 4 40 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 5 10 1 0 0 0 0 6 13 1 0 0 0 0 7 8 2 0 0 0 0 7 12 1 0 0 0 0 8 11 1 0 0 0 0 9 14 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 17 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 15 2 0 0 0 0 11 28 1 0 0 0 0 12 16 2 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 13 32 1 0 0 0 0 14 18 2 0 0 0 0 14 19 1 0 0 0 0 15 16 1 0 0 0 0 16 33 1 0 0 0 0 18 20 1 0 0 0 0 18 34 1 0 0 0 0 19 21 2 0 0 0 0 19 35 1 0 0 0 0 20 22 2 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 22 38 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 M END $$$$