BW97JI -OEChem-04022108283D 24 24 0 0 0 0 0 0 0999 V2000 -2.4892 1.8857 -0.1719 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4445 0.5555 -0.0066 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6258 -0.0854 -0.0348 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2114 -0.1289 0.0262 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0150 0.5855 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2041 -0.0917 -0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1888 -1.5205 0.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2267 -1.4834 0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6178 -0.0735 -0.5793 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5504 1.9018 0.5195 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0302 -2.1977 0.1489 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4520 0.6525 -0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 1.6689 -0.1202 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1016 -2.1061 0.1791 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1312 -2.0784 0.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0666 -0.7767 0.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3815 0.6706 -0.8325 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3759 -0.6042 -1.5072 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5933 2.1598 0.7356 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9990 2.0105 1.4603 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1743 2.6325 -0.2042 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0469 -3.2813 0.2231 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7021 -1.0909 0.0421 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5159 0.4004 -0.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 2 4 1 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 3 12 1 0 0 0 0 3 23 1 0 0 0 0 3 24 1 0 0 0 0 4 5 1 0 0 0 0 4 7 2 0 0 0 0 5 6 2 0 0 0 0 5 13 1 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 7 11 1 0 0 0 0 7 14 1 0 0 0 0 8 11 2 0 0 0 0 8 15 1 0 0 0 0 9 16 1 0 0 0 0 9 17 1 0 0 0 0 9 18 1 0 0 0 0 10 19 1 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 11 22 1 0 0 0 0 M END $$$$