# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JVJ' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy N0 N 6.41000 2.61600 -0.49900 1.000 C1 C 5.65100 3.41400 0.47400 1.000 C2 C 4.18500 3.08400 0.35900 1.000 C3 C 3.64600 2.06300 1.12200 1.000 C4 C 2.30500 1.75700 1.02100 1.000 C5 C 1.49100 2.47800 0.14700 1.000 C6 C 2.04000 3.50600 -0.61900 1.000 C7 C 3.38200 3.80600 -0.50600 1.000 C8 C 0.05000 2.15300 0.03400 1.000 C9 C -0.36500 0.81500 -0.06500 1.000 C10 C 0.63600 -0.27600 -0.05600 1.000 C11 C 0.42500 -1.40900 0.73100 1.000 C12 C 1.35600 -2.42400 0.73900 1.000 C13 C 2.50900 -2.31900 -0.03800 1.000 C14 C 3.51100 -3.41300 -0.02900 1.000 C15 C 3.45000 -4.57500 0.67200 1.000 O16 O 4.55200 -5.29000 0.40400 1.000 C17 C 5.34600 -4.63700 -0.45800 1.000 C18 C 4.77000 -3.46700 -0.78100 1.000 C19 C 2.72000 -1.18700 -0.82500 1.000 C20 C 1.78700 -0.17400 -0.83800 1.000 N21 N -1.66000 0.53300 -0.16600 1.000 C22 C -2.55200 1.51200 -0.17400 1.000 C23 C -2.13700 2.83800 -0.07600 1.000 N24 N -0.85400 3.12700 0.03000 1.000 O25 O -3.87300 1.22300 -0.27700 1.000 C26 C -4.22900 -0.15800 -0.37400 1.000 C27 C -5.75000 -0.28600 -0.48200 1.000 C28 C -6.12600 -1.75300 -0.70700 1.000 C29 C -7.65000 -1.88300 -0.75400 1.000 N30 N -8.22200 -1.40100 0.51000 1.000 C31 C -7.91500 0.01800 0.72500 1.000 C32 C -6.39800 0.20700 0.81500 1.000 H33 H 6.06400 2.76300 -1.43500 1.000 H34 H 7.39700 2.82000 -0.44100 1.000 H35 H 5.99700 3.18400 1.48200 1.000 H36 H 5.80100 4.47400 0.27100 1.000 H37 H 4.27700 1.50500 1.79800 1.000 H38 H 1.88500 0.95900 1.61600 1.000 H39 H 1.41500 4.06800 -1.29700 1.000 H40 H 3.80800 4.60300 -1.09800 1.000 H41 H -0.46700 -1.49000 1.33400 1.000 H42 H 1.19300 -3.30100 1.34800 1.000 H43 H 2.65100 -4.87200 1.33400 1.000 H44 H 6.29200 -4.99500 -0.83400 1.000 H45 H 5.15700 -2.71600 -1.45500 1.000 H46 H 3.61300 -1.10600 -1.42600 1.000 H47 H 1.95000 0.70200 -1.44700 1.000 H48 H -2.86800 3.63200 -0.08300 1.000 H49 H -3.76400 -0.59200 -1.25900 1.000 H50 H -3.88300 -0.68600 0.51500 1.000 H51 H -6.10800 0.31500 -1.31800 1.000 H52 H -5.70200 -2.09600 -1.65100 1.000 H53 H -5.73300 -2.35900 0.10900 1.000 H54 H -8.04000 -1.28800 -1.57900 1.000 H55 H -7.92100 -2.92800 -0.90000 1.000 H56 H -7.90500 -1.96200 1.28700 1.000 H57 H -8.30400 0.60500 -0.10700 1.000 H58 H -8.37800 0.35400 1.65300 1.000 H59 H -6.01000 -0.36800 1.65600 1.000 H60 H -6.17100 1.26300 0.95900 1.000