# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JJX' 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 -3.36900 -2.71600 1.95400 1.000 C1 C -3.72500 -4.03400 1.25800 1.000 N2 N -4.81700 -3.80100 0.30300 1.000 C3 C -5.30300 -5.06700 -0.26000 1.000 C4 C -6.51700 -4.79700 -1.15100 1.000 C5 C -4.19400 -5.71500 -1.09100 1.000 C6 C -4.40500 -2.87500 -0.76100 1.000 C7 C -4.07800 -1.51000 -0.14800 1.000 N8 N -3.08900 -1.70400 0.92400 1.000 C9 C -1.95700 -0.97400 0.96100 1.000 O10 O -1.15300 -1.14700 1.85200 1.000 C11 C -1.69000 0.05700 -0.10500 1.000 N12 N -0.40500 0.71000 0.15800 1.000 C13 C 0.73800 0.21600 -0.35900 1.000 O14 O 0.68700 -0.78300 -1.04900 1.000 C15 C -0.33200 1.92400 0.98800 1.000 C16 C -1.20600 2.97400 0.35200 1.000 C17 C -1.98600 3.79500 1.14800 1.000 C18 C -2.78900 4.75800 0.57200 1.000 C19 C -2.81300 4.90400 -0.81600 1.000 C20 C -3.64300 5.90200 -1.42000 1.000 N21 N -4.30200 6.69300 -1.90000 1.000 C22 C -2.02300 4.07200 -1.61300 1.000 C23 C -1.22100 3.11600 -1.02400 1.000 C24 C 1.04100 2.52800 1.20400 1.000 C25 C 1.21300 3.70800 1.99700 1.000 N26 N 1.34900 4.64500 2.62500 1.000 C27 C 2.09400 1.91700 0.62700 1.000 C28 C 3.47700 2.48500 0.81700 1.000 N29 N 1.92700 0.79000 -0.13700 1.000 C30 C 3.06200 0.20700 -0.71400 1.000 C31 C 3.76200 -0.77900 -0.03100 1.000 C32 C 3.48600 0.61000 -1.97400 1.000 C33 C 4.60600 0.03300 -2.54100 1.000 C34 C 5.30300 -0.94500 -1.85600 1.000 C35 C 4.88000 -1.35200 -0.60400 1.000 C36 C 5.64100 -2.42100 0.13700 1.000 F37 F 5.11700 -3.67700 -0.19000 1.000 F38 F 6.99100 -2.37000 -0.22600 1.000 F39 F 5.52000 -2.21000 1.51500 1.000 H40 H -4.20700 -2.38900 2.57000 1.000 H41 H -2.48700 -2.85700 2.57800 1.000 H42 H -2.85100 -4.41100 0.72600 1.000 H43 H -4.04200 -4.76400 2.00200 1.000 H44 H -5.58900 -5.73800 0.55000 1.000 H45 H -3.52200 -3.26900 -1.26500 1.000 H46 H -5.21600 -2.76600 -1.48100 1.000 H47 H -6.87800 -5.73600 -1.56800 1.000 H48 H -7.30700 -4.33500 -0.55800 1.000 H49 H -6.23100 -4.12500 -1.96100 1.000 H50 H -3.33000 -5.90800 -0.45600 1.000 H51 H -4.55600 -6.65500 -1.50900 1.000 H52 H -3.90800 -5.04400 -1.90100 1.000 H53 H -3.66300 -0.85400 -0.91400 1.000 H54 H -4.98400 -1.06700 0.26600 1.000 H55 H -1.65800 -0.42800 -1.08000 1.000 H56 H -2.48400 0.80300 -0.09600 1.000 H57 H -0.75200 1.68800 1.96500 1.000 H58 H -1.96600 3.68100 2.22100 1.000 H59 H -0.60700 2.47500 -1.63900 1.000 H60 H -3.39700 5.39800 1.19400 1.000 H61 H -2.03700 4.18000 -2.68800 1.000 H62 H 3.43300 3.32200 1.51500 1.000 H63 H 4.13500 1.71300 1.21700 1.000 H64 H 3.86300 2.83100 -0.14200 1.000 H65 H 3.43200 -1.09700 0.94700 1.000 H66 H 2.94100 1.37300 -2.50900 1.000 H67 H 4.93600 0.34600 -3.52000 1.000 H68 H 6.17800 -1.39500 -2.30200 1.000