# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'J1J' 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 2.06500 -0.23700 -0.36300 1.000 O1 O 2.07900 -1.25600 -1.02600 1.000 C2 C 3.32200 0.49100 -0.10200 1.000 C3 C 3.30600 1.66600 0.66200 1.000 C4 C 4.45900 2.35000 0.91200 1.000 C5 C 5.67200 1.88600 0.40800 1.000 C6 C 5.70300 0.70700 -0.36000 1.000 C7 C 4.52400 0.00700 -0.61000 1.000 C8 C 6.99300 0.23300 -0.88300 1.000 C9 C 8.11400 0.96100 -0.60000 1.000 C10 C 8.01900 2.12900 0.17200 1.000 O11 O 9.03200 2.76400 0.41300 1.000 N12 N 6.84400 2.56800 0.65400 1.000 O13 O 7.06800 -0.89500 -1.62600 1.000 N14 N 0.90000 0.23100 0.12800 1.000 C15 C -1.50800 0.47100 -0.04900 1.000 O16 O -1.31100 1.64000 0.20800 1.000 C17 C -0.52600 -1.59900 0.90100 1.000 C18 C 0.56700 -2.62200 0.73300 1.000 C19 C 1.75500 -2.48400 1.42500 1.000 C20 C 0.37800 -3.70300 -0.10800 1.000 C21 C 2.75800 -3.42400 1.27100 1.000 C22 C 1.38100 -4.64200 -0.26300 1.000 C23 C 2.57100 -4.50100 0.42500 1.000 C24 C -8.85400 1.40500 -0.55000 1.000 C25 C -7.67700 0.43200 -0.63700 1.000 C26 C -6.37300 1.18300 -0.36200 1.000 C27 C -5.19600 0.21000 -0.44900 1.000 N28 N -10.86000 1.28600 1.29500 1.000 C29 C -11.01300 0.59800 0.11500 1.000 C30 C -0.34800 -0.48800 -0.13600 1.000 N31 N -12.12700 -0.18400 -0.08600 1.000 C32 C -3.89200 0.96100 -0.17400 1.000 N33 N -2.76400 0.02900 -0.25800 1.000 N34 N -10.10300 0.68600 -0.81400 1.000 H35 H 0.88900 1.04400 0.65700 1.000 H36 H 2.37000 2.03400 1.05600 1.000 H37 H 4.54300 -0.90000 -1.19600 1.000 H38 H 4.43100 3.25400 1.50100 1.000 H39 H 6.82000 3.38000 1.18300 1.000 H40 H 9.07500 0.63600 -0.97100 1.000 H41 H 7.96300 -1.11500 -1.91800 1.000 H42 H -0.31200 -0.92500 -1.13400 1.000 H43 H -2.92200 -0.90500 -0.46300 1.000 H44 H -1.49600 -2.07600 0.76000 1.000 H45 H -0.47400 -1.17200 1.90300 1.000 H46 H 1.90100 -1.64300 2.08600 1.000 H47 H -0.55300 -3.81300 -0.64500 1.000 H48 H 3.68700 -3.31500 1.81100 1.000 H49 H 1.23300 -5.48600 -0.92000 1.000 H50 H 3.35500 -5.23500 0.30500 1.000 H51 H -8.89100 1.84200 0.44800 1.000 H52 H -8.72800 2.19700 -1.28800 1.000 H53 H -7.80400 -0.35900 0.10100 1.000 H54 H -7.64100 -0.00500 -1.63500 1.000 H55 H -6.24600 1.97400 -1.10000 1.000 H56 H -6.41000 1.62000 0.63600 1.000 H57 H -5.32300 -0.58100 0.28900 1.000 H58 H -5.15900 -0.22700 -1.44700 1.000 H59 H -3.76500 1.75200 -0.91200 1.000 H60 H -3.92800 1.39800 0.82400 1.000 H61 H -11.45800 1.11200 2.03900 1.000 H62 H -10.15400 1.94500 1.38400 1.000 H63 H -12.80400 -0.25000 0.60600 1.000 H64 H -12.23500 -0.66900 -0.91800 1.000