# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JVT' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy O0 O 1.65900 -0.80000 0.24500 1.000 C1 C 2.08100 0.32100 0.03700 1.000 C2 C 3.53300 0.55900 -0.04300 1.000 N3 N 4.13200 1.71000 -0.26100 1.000 N4 N 5.41100 1.59100 -0.27300 1.000 C5 C 5.79100 0.29200 -0.05600 1.000 C6 C 7.01100 -0.37000 0.02700 1.000 C7 C 7.03700 -1.72600 0.26400 1.000 C8 C 5.85800 -2.44200 0.42000 1.000 C9 C 4.64700 -1.81100 0.34200 1.000 C10 C 4.59800 -0.44000 0.11000 1.000 N11 N 1.22000 1.34600 -0.12500 1.000 C12 C -0.15900 1.10200 -0.16500 1.000 C13 C -1.04500 2.04200 0.34600 1.000 C14 C -2.40400 1.80300 0.30700 1.000 C15 C -0.64000 -0.07600 -0.72000 1.000 C16 C -1.99900 -0.31500 -0.76000 1.000 C17 C -2.88500 0.62200 -0.24400 1.000 N18 N -4.26200 0.37900 -0.28300 1.000 C19 C -4.55000 -0.92200 -0.90400 1.000 C20 C -6.06500 -1.11400 -1.00000 1.000 C21 C -4.85000 0.45900 1.06100 1.000 C22 C -6.36600 0.26700 0.96500 1.000 N23 N -6.65300 -1.03400 0.34400 1.000 C24 C -8.09900 -1.28900 0.30300 1.000 H25 H 1.55500 2.25100 -0.21400 1.000 H26 H 6.02800 2.32500 -0.41900 1.000 H27 H 7.93500 0.17800 -0.09300 1.000 H28 H 7.98500 -2.23900 0.32900 1.000 H29 H 5.89700 -3.50500 0.60500 1.000 H30 H 3.73300 -2.37400 0.46300 1.000 H31 H -0.67000 2.96000 0.77400 1.000 H32 H 0.04800 -0.80500 -1.12100 1.000 H33 H -3.09300 2.53300 0.70400 1.000 H34 H -2.37400 -1.23200 -1.19100 1.000 H35 H -4.11500 -0.95200 -1.90300 1.000 H36 H -4.12000 -1.71800 -0.29600 1.000 H37 H -4.42400 -0.32100 1.69200 1.000 H38 H -4.63400 1.43600 1.49400 1.000 H39 H -6.49100 -0.33400 -1.63100 1.000 H40 H -6.28100 -2.09100 -1.43400 1.000 H41 H -6.80000 0.29800 1.96400 1.000 H42 H -6.79500 1.06300 0.35600 1.000 H43 H -8.28100 -2.28600 -0.09900 1.000 H44 H -8.50900 -1.22300 1.31100 1.000 H45 H -8.58100 -0.54700 -0.33500 1.000