B6BZ7Q -OEChem-04022113543D 28 29 0 0 0 0 0 0 0999 V2000 -2.5982 -3.2668 0.0003 S 0 0 0 0 0 0 0 0 0 0 0 0 0.2035 0.7903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0010 2.7673 0.0007 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8859 -0.6987 -0.0001 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5794 0.5491 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4351 1.5197 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0866 0.6604 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1110 0.0976 1.2079 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1114 0.0982 -1.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9249 1.5466 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3211 1.1780 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1748 -0.8047 1.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1751 -0.8042 -1.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7068 -1.2556 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9208 -1.6203 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4568 0.2873 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3017 -1.0443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4842 2.1630 0.8877 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4842 2.1634 -0.8869 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7036 0.4399 2.1554 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7042 0.4409 -2.1556 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9290 -1.0402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5191 2.2439 -0.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5884 -1.1567 2.1485 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5890 -1.1558 -2.1486 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5348 -1.9583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4474 0.7287 -0.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1578 -1.7094 0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 2 0 0 0 0 2 6 1 0 0 0 0 2 10 1 0 0 0 0 3 10 2 0 0 0 0 4 7 1 0 0 0 0 4 15 1 0 0 0 0 4 22 1 0 0 0 0 5 6 1 0 0 0 0 5 8 2 0 0 0 0 5 9 1 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 7 10 1 0 0 0 0 7 11 2 0 0 0 0 8 12 1 0 0 0 0 8 20 1 0 0 0 0 9 13 2 0 0 0 0 9 21 1 0 0 0 0 11 16 1 0 0 0 0 11 23 1 0 0 0 0 12 14 2 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 14 26 1 0 0 0 0 15 17 1 0 0 0 0 16 17 2 0 0 0 0 16 27 1 0 0 0 0 17 28 1 0 0 0 0 M END $$$$