B3DW6A -OEChem-04042103483D 41 42 0 1 0 0 0 0 0999 V2000 3.6835 0.7866 -0.4378 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0322 -1.4686 1.0193 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0613 -4.3837 0.0892 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6868 0.0394 -1.1790 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7947 1.7050 -1.1320 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0576 -1.1698 0.5276 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4825 3.3037 -0.3697 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8807 -0.3856 0.2174 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7564 1.0592 0.0798 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4357 1.6370 0.8407 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0164 -2.2335 0.2969 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2403 -3.1781 -0.6101 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0356 -2.4167 -0.8857 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2544 -1.6601 0.4144 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8935 -1.2569 -0.4758 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6857 -0.3585 0.4602 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0754 0.7143 -0.0518 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2829 -0.2400 0.2929 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5318 1.9562 -0.2555 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9992 2.1887 -0.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6464 3.1261 -0.5425 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5953 2.2352 1.8935 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6164 -2.7820 1.0318 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7749 -3.4524 -1.5243 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8817 -1.7262 -1.7238 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8907 -3.0559 -1.1271 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8532 -2.2643 1.1064 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3084 -0.6564 -1.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5977 -1.8302 -1.0927 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0095 0.2142 1.0995 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3545 -0.9547 1.0896 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7832 -4.8234 0.2873 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0113 0.5567 -0.0975 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7632 1.1876 0.1294 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3146 1.2403 1.1981 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8623 3.5341 -1.5352 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4130 2.8558 -0.5143 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8032 3.9157 0.1998 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3577 1.4901 2.6567 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1552 3.0458 2.3688 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6770 2.6575 1.4776 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 10 1 0 0 0 0 1 16 1 0 0 0 0 2 11 1 0 0 0 0 2 14 1 0 0 0 0 3 12 1 0 0 0 0 3 32 1 0 0 0 0 6 18 2 0 0 0 0 7 20 2 0 0 0 0 8 14 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 9 18 1 0 0 0 0 9 20 1 0 0 0 0 9 34 1 0 0 0 0 10 22 1 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 11 23 1 0 0 0 0 12 13 1 0 0 0 0 12 24 1 0 0 0 0 13 14 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 14 27 1 0 0 0 0 15 16 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 16 30 1 0 0 0 0 16 31 1 0 0 0 0 17 19 2 0 0 0 0 17 33 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 21 38 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 $$$$