# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'J1I' 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 11.49500 3.84100 1.33400 1.000 C1 C 8.95900 -1.14100 -1.26900 1.000 O2 O 5.65400 -1.33400 -1.90300 1.000 P3 P 0.83900 -3.97800 -0.55800 1.000 C4 C -10.81600 2.75100 0.33700 1.000 N5 N -10.75600 3.64600 -0.63200 1.000 O6 O -5.73400 0.05300 0.92000 1.000 O7 O 1.04900 -5.49300 -0.05400 1.000 N8 N -9.82500 1.92500 0.59900 1.000 O9 O -8.96600 -1.47700 0.58000 1.000 O10 O 1.76200 -3.71000 -1.85000 1.000 C11 C -8.59200 2.89600 -1.16000 1.000 N12 N -7.52400 1.26400 -0.10400 1.000 O13 O -7.27200 -2.76400 2.07900 1.000 O14 O -0.58200 -3.77000 -0.91500 1.000 C15 C -9.67700 3.75600 -1.40100 1.000 N16 N -7.37100 2.72300 -1.72000 1.000 C17 C -6.74300 1.76600 -1.10200 1.000 N18 N -9.62400 4.69700 -2.41400 1.000 C19 C -6.64000 -2.16900 0.94400 1.000 N20 N 1.09500 -1.44300 0.32000 1.000 C21 C -7.60900 -1.19100 0.23500 1.000 N22 N 4.61500 -0.32400 -0.21800 1.000 O23 O 7.45900 2.18900 2.75200 1.000 C24 C -7.16800 0.17800 0.81300 1.000 N25 N 9.42900 3.00600 2.07800 1.000 C26 C -5.46300 -1.27900 1.38700 1.000 N27 N 10.19300 2.56900 -0.09600 1.000 C28 C -4.16100 -1.79200 0.76900 1.000 N29 N 8.91300 1.28700 -1.61300 1.000 C30 C -1.33800 -1.56200 0.56400 1.000 N31 N 7.02200 0.94900 0.34400 1.000 C32 C -0.06100 -0.83900 0.99500 1.000 C33 C 2.30400 -0.63200 0.52100 1.000 C34 C 3.37500 -1.05500 -0.48700 1.000 C35 C 1.30700 -2.82400 0.77300 1.000 C36 C 10.35800 3.12500 1.09000 1.000 C37 C 9.10500 1.86000 -0.37500 1.000 C38 C 8.10900 1.68300 0.60900 1.000 C39 C 8.29700 2.29700 1.87300 1.000 C40 C 8.10100 0.06100 -1.67100 1.000 C41 C 6.94200 0.19500 -0.71600 1.000 C42 C 5.70200 -0.53500 -0.98500 1.000 C43 C 7.57500 -0.13800 -3.09300 1.000 S44 S -2.76700 -0.81600 1.39700 1.000 C45 C -8.70500 1.96200 -0.11700 1.000 H46 H 11.63100 4.25500 2.20100 1.000 H47 H 12.16900 3.93200 0.64200 1.000 H48 H 9.33000 -0.99900 -0.25400 1.000 H49 H 8.35600 -2.04800 -1.31200 1.000 H50 H 9.80100 -1.23100 -1.95400 1.000 H51 H -11.71000 2.69800 0.94100 1.000 H52 H 0.81900 -6.16200 -0.71300 1.000 H53 H -9.26000 -2.36100 0.31900 1.000 H54 H -8.05600 -3.28800 1.86300 1.000 H55 H -5.74800 1.42000 -1.34400 1.000 H56 H -10.37900 5.28500 -2.57000 1.000 H57 H -8.83100 4.76800 -2.96800 1.000 H58 H -6.30000 -2.93800 0.25100 1.000 H59 H -7.47000 -1.22100 -0.84500 1.000 H60 H 4.65400 0.31300 0.51300 1.000 H61 H -7.61300 0.34500 1.79400 1.000 H62 H 9.58300 3.43000 2.93600 1.000 H63 H -5.38500 -1.28100 2.47500 1.000 H64 H -4.02100 -2.84000 1.03500 1.000 H65 H -4.21200 -1.69700 -0.31600 1.000 H66 H 9.29800 1.67600 -2.41400 1.000 H67 H -1.46000 -1.47300 -0.51600 1.000 H68 H 0.06000 -0.92800 2.07500 1.000 H69 H -0.13100 0.21500 0.72300 1.000 H70 H 2.06400 0.42100 0.37500 1.000 H71 H 2.67900 -0.78300 1.53300 1.000 H72 H 3.03200 -0.83000 -1.49700 1.000 H73 H 3.55700 -2.12600 -0.39600 1.000 H74 H 0.69200 -3.01600 1.65300 1.000 H75 H 2.35700 -2.96700 1.02600 1.000 H76 H 7.13000 -1.13000 -3.18100 1.000 H77 H 6.82100 0.61900 -3.31100 1.000 H78 H 8.39900 -0.04600 -3.80200 1.000 H79 H 2.71100 -3.75600 -1.67100 1.000 H80 H -1.26900 -2.61600 0.83500 1.000