# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'J94' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C0 C -2.83300 3.41300 0.29800 1.000 N1 N -2.83300 1.96200 0.07400 1.000 C2 C -3.01700 1.68500 -1.35700 1.000 C3 C -3.92600 1.34500 0.84200 1.000 C4 C -4.10400 -0.09700 0.36300 1.000 C5 C -2.77400 -0.80600 0.37500 1.000 C6 C -1.58700 -0.10800 0.44500 1.000 C7 C -0.38200 -0.79400 0.45100 1.000 C8 C -0.36200 -2.17600 0.38800 1.000 O9 O 0.67000 -3.07000 0.37900 1.000 C10 C 0.10600 -4.30200 -0.10700 1.000 O11 O -1.28100 -4.21600 0.26800 1.000 C12 C -1.56200 -2.88100 0.32000 1.000 C13 C -2.76100 -2.19200 0.31400 1.000 C14 C -1.55700 1.39600 0.52200 1.000 C15 C -0.43100 1.92400 -0.36800 1.000 O16 O -0.40600 1.19600 -1.62600 1.000 C17 C 0.78000 0.57800 -1.75200 1.000 O18 O 1.10800 -0.11100 -2.69700 1.000 C19 C 1.62600 0.85500 -0.58000 1.000 C20 C 2.92100 0.45600 -0.23200 1.000 O21 O 3.83000 -0.32900 -0.87600 1.000 C22 C 5.09500 -0.04700 -0.25000 1.000 O23 O 4.73400 0.36600 1.08100 1.000 C24 C 3.47500 0.88500 0.97200 1.000 C25 C 2.74600 1.70400 1.81700 1.000 C26 C 1.46200 2.10000 1.47300 1.000 C27 C 0.90500 1.68300 0.28900 1.000 H28 H -2.01700 3.86800 -0.26400 1.000 H29 H -3.78200 3.83200 -0.03600 1.000 H30 H -2.69900 3.61700 1.36100 1.000 H31 H -2.28500 2.25000 -1.93300 1.000 H32 H -2.88100 0.61900 -1.54100 1.000 H33 H -4.02300 1.98000 -1.65700 1.000 H34 H -3.67600 1.35000 1.90300 1.000 H35 H -4.79800 -0.61500 1.02500 1.000 H36 H 0.54800 -0.24600 0.50300 1.000 H37 H 0.20700 -4.36900 -1.19000 1.000 H38 H 0.58300 -5.15700 0.37400 1.000 H39 H -3.69300 -2.73600 0.26000 1.000 H40 H -1.37200 1.69900 1.55300 1.000 H41 H -0.56900 2.99000 -0.55400 1.000 H42 H 5.71500 -0.94200 -0.21800 1.000 H43 H 5.61000 0.75800 -0.77400 1.000 H44 H 3.17800 2.03500 2.75000 1.000 H45 H 0.89900 2.73900 2.13700 1.000 H46 H -4.84700 1.90400 0.68000 1.000 H47 H -4.50500 -0.09500 -0.65000 1.000