# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'HXJ' 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 -9.40400 -2.09100 -2.80000 1.000 C1 C -8.16700 -2.41000 -1.95600 1.000 C2 C -7.64400 -1.12500 -1.31300 1.000 C3 C -6.40700 -1.44300 -0.47000 1.000 C4 C -5.88400 -0.15800 0.17400 1.000 C5 C -4.66600 -0.47200 1.00500 1.000 C6 C -3.54400 0.16800 0.79000 1.000 C7 C -2.32600 -0.14600 1.62000 1.000 O8 O -2.61100 -1.24600 2.48600 1.000 C9 C -1.16100 -0.51100 0.69900 1.000 N10 N -0.86800 0.61800 -0.18900 1.000 C11 C -0.51200 1.80900 0.33000 1.000 O12 O -0.43400 1.94700 1.53300 1.000 C13 C -0.21200 2.97000 -0.58300 1.000 C14 C 0.16400 4.19400 0.25500 1.000 C15 C 0.46900 5.37200 -0.67300 1.000 C16 C 0.84500 6.59600 0.16500 1.000 C17 C 1.15000 7.77400 -0.76200 1.000 C18 C 0.07600 -0.82900 1.54200 1.000 O19 O 1.13000 -1.28200 0.69000 1.000 P20 P 2.58200 -1.70700 1.24100 1.000 O21 O 2.44100 -3.01300 2.17300 1.000 O22 O 3.15400 -0.59500 2.03300 1.000 O23 O 3.55200 -2.03600 -0.00100 1.000 C24 C 4.93900 -2.34300 0.15500 1.000 C25 C 5.56100 -2.60300 -1.21900 1.000 N26 N 5.55600 -1.36000 -2.00100 1.000 C27 C 6.22100 -0.29700 -1.23600 1.000 C28 C 6.27200 -1.57500 -3.26600 1.000 C29 C 4.17000 -0.96500 -2.28500 1.000 H30 H -10.17700 -1.66300 -2.16200 1.000 H31 H -9.13800 -1.37700 -3.57900 1.000 H32 H -9.77700 -3.00700 -3.25800 1.000 H33 H -8.43400 -3.12400 -1.17700 1.000 H34 H -7.39400 -2.83900 -2.59300 1.000 H35 H -7.37800 -0.41000 -2.09200 1.000 H36 H -8.41700 -0.69600 -0.67600 1.000 H37 H -6.67400 -2.15800 0.31000 1.000 H38 H -5.63400 -1.87200 -1.10700 1.000 H39 H -5.61800 0.55600 -0.60500 1.000 H40 H -6.65700 0.27100 0.81100 1.000 H41 H -4.71900 -1.22500 1.77700 1.000 H42 H -3.49100 0.92100 0.01700 1.000 H43 H -2.05900 0.72600 2.21700 1.000 H44 H -2.85700 -2.05800 2.02300 1.000 H45 H -1.42800 -1.38300 0.10200 1.000 H46 H -0.93100 0.50700 -1.15100 1.000 H47 H 0.61900 2.71000 -1.23900 1.000 H48 H -1.09200 3.19700 -1.18400 1.000 H49 H -0.66600 4.45400 0.91100 1.000 H50 H 1.04500 3.96700 0.85500 1.000 H51 H 1.30000 5.11200 -1.32900 1.000 H52 H -0.41200 5.59900 -1.27300 1.000 H53 H 0.01400 6.85600 0.82100 1.000 H54 H 1.72600 6.36900 0.76500 1.000 H55 H 1.98000 7.51400 -1.41900 1.000 H56 H 0.26900 8.00100 -1.36300 1.000 H57 H 1.41800 8.64600 -0.16600 1.000 H58 H 0.39600 0.06800 2.07100 1.000 H59 H -0.16800 -1.60900 2.26400 1.000 H60 H 2.07200 -3.78200 1.71800 1.000 H61 H 5.44500 -1.50400 0.63100 1.000 H62 H 5.04600 -3.23200 0.77600 1.000 H63 H 6.58700 -2.94900 -1.09300 1.000 H64 H 4.98200 -3.36400 -1.74200 1.000 H65 H 7.25000 -0.59000 -1.02600 1.000 H66 H 6.21800 0.62500 -1.81700 1.000 H67 H 5.69000 -0.13800 -0.29800 1.000 H68 H 7.30100 -1.86800 -3.05600 1.000 H69 H 5.77800 -2.36400 -3.83300 1.000 H70 H 6.26800 -0.65300 -3.84700 1.000 H71 H 4.16400 -0.16300 -3.02300 1.000 H72 H 3.62000 -1.82200 -2.67500 1.000 H73 H 3.69600 -0.61800 -1.36700 1.000