BC4LJ2 -OEChem-04022101452D 29 31 0 0 0 0 0 0 0999 V2000 3.8936 -2.2730 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.8181 1.0632 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 3.9463 1.5532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3080 1.9350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3281 0.1914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8936 -0.6635 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -1.4683 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5719 -1.9683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7058 -0.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5719 -0.9683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7058 -2.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8398 -0.9683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8398 -1.9683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6898 0.5732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4819 -0.4614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5878 1.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4899 0.5802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3100 -1.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7839 -2.5509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1825 -1.8606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3073 -2.9432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1044 -2.9432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0152 -0.7776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5854 1.7210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0280 0.8881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9391 2.1731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9918 2.4683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.9313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 18 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 2 0 0 0 0 2 14 1 0 0 0 0 3 26 1 0 0 0 0 4 27 1 0 0 0 0 6 12 1 0 0 0 0 6 18 2 0 0 0 0 7 18 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 9 14 1 0 0 0 0 10 15 1 0 0 0 0 11 13 1 0 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0 12 13 2 0 0 0 0 14 16 2 0 0 0 0 15 17 2 0 0 0 0 15 23 1 0 0 0 0 16 17 1 0 0 0 0 16 24 1 0 0 0 0 17 25 1 0 0 0 0 M END $$$$