LIG2O4 -OEChem-05022321243D 46 48 0 1 0 0 0 0 0999 V2000 -2.1410 -2.4439 1.2856 S 0 0 0 0 0 0 0 0 0 0 0 0 5.2371 -1.7673 -0.2068 F 0 0 0 0 0 0 0 0 0 0 0 0 3.1161 -1.9597 -0.7036 F 0 0 0 0 0 0 0 0 0 0 0 0 4.3228 -0.3989 -1.6471 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0592 3.5941 0.2506 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.5189 2.4574 -0.0606 F 0 0 0 0 0 0 0 0 0 0 0 0 2.3412 0.2019 0.7030 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4573 -1.5334 -1.2588 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5966 -3.6718 -0.9483 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7721 -0.1438 0.6052 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5665 -0.2495 1.8875 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7858 0.9173 0.9698 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1198 -1.0886 -0.5131 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8929 0.9864 -0.4487 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9773 -0.2445 -0.7856 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4570 1.3763 -0.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9244 -0.5048 0.4073 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8828 0.7955 -0.5053 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5391 0.4336 -0.6011 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1880 -1.0100 1.6457 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.8276 0.2909 -1.9614 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1093 2.6811 0.0044 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2305 2.1002 -0.1549 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2344 3.0430 0.0998 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1723 -1.3763 2.7542 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0895 -2.4855 -0.4718 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3638 -0.9777 1.9709 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0591 -0.0587 2.8268 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4328 1.8870 1.3012 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7169 0.9540 0.4166 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7856 -0.6501 0.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0219 0.4209 -1.3803 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5154 1.8835 -0.5555 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6936 -1.2342 0.1132 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4716 0.4079 0.6748 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2328 -0.5682 -0.8839 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5310 -0.2207 2.0276 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5532 -0.4644 -2.2893 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2001 0.5248 -2.8307 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3999 1.1890 -1.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5052 4.0586 0.3725 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7892 -0.5097 3.0176 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6504 -1.6912 3.6649 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8493 -2.1824 2.4493 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5052 -3.8413 -1.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3082 -4.4130 -0.3192 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 26 1 0 0 0 0 2 13 1 0 0 0 0 3 13 1 0 0 0 0 4 13 1 0 0 0 0 5 22 1 0 0 0 0 6 23 1 0 0 0 0 7 10 1 0 0 0 0 7 14 1 0 0 0 0 7 31 1 0 0 0 0 8 15 1 0 0 0 0 8 26 2 0 0 0 0 9 26 1 0 0 0 0 9 45 1 0 0 0 0 9 46 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 14 16 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 15 21 1 0 0 0 0 16 19 2 0 0 0 0 16 22 1 0 0 0 0 17 20 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 36 1 0 0 0 0 20 25 1 0 0 0 0 20 37 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 22 24 2 0 0 0 0 23 24 1 0 0 0 0 24 41 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 M END $$$$