BR2QE6 -OEChem-04022118183D 30 30 0 1 0 0 0 0 0999 V2000 -3.0347 -0.2276 0.2060 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0904 0.5498 -0.2244 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1399 -2.0300 0.0748 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4957 0.8389 0.5109 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7815 -1.9167 -1.3396 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1001 3.2794 -0.1725 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2097 -1.0413 -0.0427 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8891 0.4925 1.4566 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6517 -1.2070 -0.0501 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8734 0.8873 -1.0889 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1118 -1.1435 0.5076 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3337 0.2571 -0.0742 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7564 -1.7049 0.0754 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1256 1.1585 0.2222 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3424 -0.7003 0.4178 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2468 2.5076 -0.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1687 -1.0992 1.6024 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5174 0.1873 -1.1525 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5725 -2.6798 0.5393 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0352 1.3464 1.3009 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3945 -0.5528 1.5037 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2806 2.3791 -1.5661 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1371 3.0527 -0.1511 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6240 -1.7477 -0.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9622 -2.9006 0.4699 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3488 0.9055 1.4698 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7215 -1.0519 -1.7792 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1952 4.1304 -0.6333 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0345 0.5326 -2.0395 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1126 1.5751 -1.0269 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 2 0 0 0 0 1 8 2 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 2 14 1 0 0 0 0 2 15 1 0 0 0 0 3 11 1 0 0 0 0 3 25 1 0 0 0 0 4 12 1 0 0 0 0 4 26 1 0 0 0 0 5 13 1 0 0 0 0 5 27 1 0 0 0 0 6 16 1 0 0 0 0 6 28 1 0 0 0 0 9 15 1 0 0 0 0 9 24 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 11 13 1 0 0 0 0 11 17 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 0 0 0 0 14 16 1 0 0 0 0 14 20 1 0 0 0 0 15 21 1 0 0 0 0 16 22 1 0 0 0 0 16 23 1 0 0 0 0 M END $$$$