# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CJN' 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 2.86000 -2.73600 -1.37700 1.000 C1 C 2.73000 -2.05200 -0.01400 1.000 C2 C 3.51100 -2.84900 1.03300 1.000 C3 C 3.41800 1.54300 -0.11800 1.000 C4 C 1.66000 3.00000 0.15500 1.000 C5 C 1.17600 0.74200 0.22500 1.000 C6 C -1.17500 0.02400 0.45900 1.000 C7 C -1.89200 -1.10400 1.20200 1.000 C8 C -3.38500 -0.78300 1.30000 1.000 C9 C -3.25300 0.48200 -0.85100 1.000 C10 C -1.76000 0.16000 -0.94800 1.000 C11 C -6.04900 -0.43300 -1.33000 1.000 C12 C 2.53000 0.46100 0.01700 1.000 N13 N 3.27100 -0.69300 -0.09700 1.000 C14 C 4.58300 -0.38100 -0.29700 1.000 C15 C 4.73900 0.95600 -0.32000 1.000 N16 N 2.94300 2.78900 -0.04000 1.000 N17 N 0.79100 2.01300 0.28100 1.000 N18 N 0.25400 -0.28300 0.36500 1.000 C19 C -3.97000 -0.64700 -0.10700 1.000 N20 N -5.40300 -0.33800 -0.01400 1.000 C21 C -5.61900 0.98700 0.58400 1.000 H22 H 3.91100 -2.77900 -1.66300 1.000 H23 H 2.45800 -3.74700 -1.31600 1.000 H24 H 2.30400 -2.16800 -2.12300 1.000 H25 H 1.67900 -2.00800 0.27200 1.000 H26 H 4.56200 -2.89200 0.74700 1.000 H27 H 3.41900 -2.36200 2.00300 1.000 H28 H 3.10900 -3.86000 1.09400 1.000 H29 H 1.30300 4.01800 0.21400 1.000 H30 H -1.31100 0.96100 1.00000 1.000 H31 H -1.75700 -2.04000 0.66000 1.000 H32 H -1.47500 -1.20100 2.20500 1.000 H33 H -3.89600 -1.58700 1.83000 1.000 H34 H -3.52100 0.15300 1.84200 1.000 H35 H -3.38900 1.41800 -0.30900 1.000 H36 H -3.67000 0.57900 -1.85400 1.000 H37 H -1.24900 0.96400 -1.47800 1.000 H38 H -1.62500 -0.77600 -1.49000 1.000 H39 H -5.93400 -1.44500 -1.71900 1.000 H40 H -7.11000 -0.20000 -1.23200 1.000 H41 H -5.58300 0.27500 -2.01600 1.000 H42 H 5.38000 -1.10100 -0.41900 1.000 H43 H 5.66600 1.49200 -0.45700 1.000 H44 H 0.55500 -1.20500 0.40200 1.000 H45 H -3.83500 -1.58300 -0.64900 1.000 H46 H -5.13700 1.74600 -0.03300 1.000 H47 H -6.68800 1.19000 0.64100 1.000 H48 H -5.19100 1.00700 1.58600 1.000