LM42OS -OEChem-05032302003D 27 28 0 0 0 0 0 0 0999 V2000 -3.6246 -1.3314 0.0001 S 0 0 0 0 0 0 0 0 0 0 0 0 0.1985 1.3515 0.0008 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0463 -0.6281 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2635 -0.7359 0.0004 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3186 1.3134 -0.0002 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3799 -0.1554 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8392 -0.1245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8812 1.1278 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3057 1.1456 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6156 -0.4026 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1379 0.1262 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2630 -0.5252 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5972 -1.3873 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0248 0.9212 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9393 -1.0233 -0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2445 0.3282 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2723 2.0220 -0.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9043 2.0476 -0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9634 -1.6410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0593 -1.7323 0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5033 -1.1176 -0.8896 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9192 0.3517 0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5036 -1.1189 0.8878 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3301 -2.4408 0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3546 1.7685 -0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7215 -1.7737 -0.0014 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2761 0.6644 -0.0012 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 2 11 2 0 0 0 0 3 6 1 0 0 0 0 3 11 1 0 0 0 0 3 19 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 4 20 1 0 0 0 0 5 14 1 0 0 0 0 5 16 2 0 0 0 0 6 8 2 0 0 0 0 7 9 2 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 17 1 0 0 0 0 9 18 1 0 0 0 0 10 13 1 0 0 0 0 10 14 2 0 0 0 0 12 21 1 0 0 0 0 12 22 1 0 0 0 0 12 23 1 0 0 0 0 13 15 2 0 0 0 0 13 24 1 0 0 0 0 14 25 1 0 0 0 0 15 16 1 0 0 0 0 15 26 1 0 0 0 0 16 27 1 0 0 0 0 M END $$$$