# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JNB' 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 -0.17500 -0.35400 0.87600 1.000 C1 C 1.27300 -0.25500 0.60100 1.000 C2 C 1.73100 0.52500 -0.46300 1.000 C3 C 3.08100 0.61700 -0.71900 1.000 C4 C 3.99100 -0.06900 0.08500 1.000 C5 C 3.53500 -0.84900 1.14800 1.000 N6 N -1.05500 0.30000 0.09300 1.000 C7 C 2.18700 -0.93700 1.40900 1.000 C8 C -2.49200 0.19700 0.36200 1.000 C9 C -3.16900 1.53000 0.03400 1.000 C10 C -4.67800 1.39600 0.26100 1.000 C11 C -5.21200 0.24600 -0.59900 1.000 C12 C -4.45600 -1.03700 -0.24600 1.000 C13 C -4.94200 -2.17800 -1.14300 1.000 O14 O -4.32100 -3.40000 -0.73700 1.000 O15 O -0.57200 -1.02900 1.80600 1.000 O16 O -3.05600 -0.83500 -0.45000 1.000 O17 O -6.60600 0.06500 -0.34100 1.000 O18 O -5.32700 2.61300 -0.11300 1.000 O19 O -2.64700 2.55300 0.88400 1.000 C20 C 5.44500 0.03000 -0.19100 1.000 C21 C 6.35800 -0.65500 0.61100 1.000 C22 C 7.70900 -0.55900 0.34900 1.000 C23 C 8.15900 0.21400 -0.70600 1.000 C24 C 7.25800 0.89600 -1.50500 1.000 C25 C 5.90400 0.80300 -1.25600 1.000 H26 H 1.02600 1.05600 -1.08600 1.000 H27 H 3.43500 1.22000 -1.54100 1.000 H28 H 4.24100 -1.38000 1.77000 1.000 H29 H -0.73800 0.83800 -0.64900 1.000 H30 H 1.83400 -1.53700 2.23500 1.000 H31 H -2.64800 -0.04200 1.41400 1.000 H32 H -2.97900 1.78900 -1.00700 1.000 H33 H -4.87200 1.18600 1.31300 1.000 H34 H -5.06300 0.47900 -1.65300 1.000 H35 H -4.63900 -1.29200 0.79800 1.000 H36 H -6.02400 -2.27400 -1.05500 1.000 H37 H -4.67900 -1.96400 -2.17800 1.000 H38 H -4.58400 -4.16800 -1.26300 1.000 H39 H -7.14700 0.84200 -0.53800 1.000 H40 H -5.03700 3.38500 0.39200 1.000 H41 H -1.69300 2.68900 0.79600 1.000 H42 H 6.00800 -1.25800 1.43500 1.000 H43 H 8.41700 -1.08900 0.96900 1.000 H44 H 9.21700 0.28700 -0.90700 1.000 H45 H 7.61500 1.49800 -2.32700 1.000 H46 H 5.20100 1.33200 -1.88300 1.000