LM31QE -OEChem-05032301593D 31 32 0 0 0 0 0 0 0999 V2000 -2.4884 -2.3667 -0.4128 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0436 1.2713 0.1053 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2762 -0.6565 -0.1603 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0265 -0.8114 -0.1401 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2992 -0.3224 -0.0548 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2188 0.5016 -0.6115 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1925 0.3316 0.7583 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5826 -0.1639 -0.1207 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0918 1.7109 0.0916 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6718 -1.0262 -0.2467 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7926 1.2047 0.0485 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1809 0.8487 -0.0344 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9709 -0.5198 -0.2035 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3164 3.1741 0.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9334 0.0570 -0.0493 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0601 0.0980 -1.0817 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0188 -0.1689 1.0715 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4213 -3.1622 0.7686 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9981 1.9295 0.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1985 1.2286 -0.0016 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8242 -1.1855 -0.3014 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1888 -1.6613 -0.2902 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6941 3.7472 -0.4236 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3581 3.4519 0.0794 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0698 3.4693 1.2969 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9304 -1.8131 -0.2676 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7516 0.0977 -2.1176 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6713 -0.4206 2.0636 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3723 -3.1229 1.3092 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6068 -2.8280 1.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2299 -4.1975 0.4737 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 18 1 0 0 0 0 2 15 2 0 0 0 0 3 8 1 0 0 0 0 3 15 1 0 0 0 0 3 22 1 0 0 0 0 4 5 1 0 0 0 0 4 15 1 0 0 0 0 4 26 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 6 7 1 0 0 0 0 6 16 2 0 0 0 0 7 17 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 9 14 1 0 0 0 0 10 13 1 0 0 0 0 11 19 1 0 0 0 0 12 13 2 0 0 0 0 12 20 1 0 0 0 0 13 21 1 0 0 0 0 14 23 1 0 0 0 0 14 24 1 0 0 0 0 14 25 1 0 0 0 0 16 27 1 0 0 0 0 17 28 1 0 0 0 0 18 29 1 0 0 0 0 18 30 1 0 0 0 0 18 31 1 0 0 0 0 M END $$$$