B5XUT4 -OEChem-04022103193D 30 32 0 1 0 0 0 0 0999 V2000 -0.9250 3.5589 0.8487 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.1706 -1.1060 -0.6912 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6635 1.1678 -0.2611 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6319 1.1794 0.1535 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3954 0.5116 0.6942 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7178 2.1410 -0.5263 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0311 -0.0358 -1.0036 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3113 -0.7226 -1.2283 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1972 0.1189 -0.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9402 -0.8557 -0.1712 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5558 -0.2188 -0.1057 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8087 -1.4454 1.0645 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4513 2.2330 -0.0137 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2689 -1.2883 -0.6006 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0371 -2.1003 1.3203 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8318 -1.8639 0.2225 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6334 -0.0760 0.7177 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5833 -1.1979 -0.0798 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4941 0.2322 -1.9599 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6480 -0.6039 -2.2641 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3393 -1.7812 -0.9557 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9388 -1.4104 1.7048 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1426 1.3540 1.1925 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8955 -2.0559 -1.2646 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3094 -2.6728 2.1951 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8380 -2.1494 -0.0475 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4369 0.3554 1.2979 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4044 -1.8761 -0.2651 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0594 1.3532 -1.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3813 2.8962 -0.3868 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 2 0 0 0 0 2 10 1 0 0 0 0 2 16 1 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 3 13 1 0 0 0 0 4 9 2 0 0 0 0 5 11 1 0 0 0 0 5 17 1 0 0 0 0 5 23 1 0 0 0 0 6 13 1 0 0 0 0 6 29 1 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 19 1 0 0 0 0 8 9 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 9 11 1 0 0 0 0 10 12 2 0 0 0 0 11 14 2 0 0 0 0 12 15 1 0 0 0 0 12 22 1 0 0 0 0 14 18 1 0 0 0 0 14 24 1 0 0 0 0 15 16 2 0 0 0 0 15 25 1 0 0 0 0 16 26 1 0 0 0 0 17 18 2 0 0 0 0 17 27 1 0 0 0 0 18 28 1 0 0 0 0 M END $$$$