L28TIO -OEChem-05022322243D 31 31 0 0 0 0 0 0 0999 V2000 -3.1008 -1.4116 -0.2600 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6608 -1.2590 0.3265 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3932 1.4965 -0.1644 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1867 0.9714 -0.0284 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2120 -0.6109 0.1887 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3806 0.1753 0.0349 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8701 0.2315 0.0612 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9769 1.4742 -0.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1641 -2.0666 0.4403 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7493 -0.2560 0.0874 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7530 2.7100 -0.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1945 -2.8742 -0.8109 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2630 -0.0822 0.1381 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8544 0.6899 0.5755 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6229 0.8116 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1183 -2.4323 0.8341 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5636 -2.2868 1.2306 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9546 2.3255 -0.2987 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2509 3.0367 0.5105 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1049 3.5321 -0.7316 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 2.5686 -1.1932 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5659 -2.7392 -1.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2431 -3.9403 -0.5674 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1573 -2.5793 -1.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1917 1.3287 -0.2427 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5040 1.2825 1.4239 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7028 0.0909 0.9218 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8501 1.9188 -0.1581 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9788 1.0982 0.9925 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0587 1.4749 -0.7508 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9035 -0.2236 -0.2077 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 2 0 0 0 0 2 13 2 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 3 18 1 0 0 0 0 4 13 1 0 0 0 0 4 15 1 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 5 9 1 0 0 0 0 6 8 2 0 0 0 0 6 10 1 0 0 0 0 7 13 1 0 0 0 0 8 11 1 0 0 0 0 9 12 1 0 0 0 0 9 16 1 0 0 0 0 9 17 1 0 0 0 0 10 14 1 0 0 0 0 11 19 1 0 0 0 0 11 20 1 0 0 0 0 11 21 1 0 0 0 0 12 22 1 0 0 0 0 12 23 1 0 0 0 0 12 24 1 0 0 0 0 14 25 1 0 0 0 0 14 26 1 0 0 0 0 14 27 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 M END $$$$