# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'J3P' 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 -1.65400 1.23000 0.17000 1.000 C1 C -2.74600 -1.33600 1.29600 1.000 C2 C -2.96400 -3.65100 0.69100 1.000 C3 C -3.43800 -5.83700 -0.14400 1.000 C4 C -1.86700 -3.54200 -0.14900 1.000 C5 C -1.20200 -2.33500 -0.26200 1.000 C6 C 2.59000 1.14800 0.34900 1.000 C7 C 5.78100 -0.09400 1.50200 1.000 C8 C -5.81100 0.91100 -0.80900 1.000 C9 C -4.65300 1.19900 -1.76600 1.000 C10 C -4.11900 -0.11900 -2.33100 1.000 C11 C -5.14700 2.08300 -2.91400 1.000 O12 O -3.60800 1.87300 -1.06200 1.000 C13 C -3.15900 1.18700 0.10800 1.000 C14 C -3.73100 1.85500 1.33200 1.000 O15 O -4.42800 2.83500 1.21600 1.000 O16 O -3.46500 1.36200 2.55200 1.000 C17 C -0.92200 0.06800 0.33500 1.000 C18 C -1.63700 -1.22500 0.45800 1.000 C19 C -3.40000 -2.54200 1.41100 1.000 O20 O -3.63300 -4.82400 0.84300 1.000 C21 C -1.93500 -6.01600 -0.36700 1.000 C22 C -1.37300 -4.71800 -0.95300 1.000 N23 N 0.41000 0.08300 0.38700 1.000 C24 C 1.11200 1.19600 0.28400 1.000 C25 C 3.48400 1.97000 -0.36900 1.000 N26 N 4.70100 1.62500 -0.04300 1.000 N27 N 4.63500 0.58000 0.88600 1.000 C28 C 6.69500 -0.61800 0.42400 1.000 C29 C 6.50800 -1.89000 -0.08300 1.000 C30 C 7.34600 -2.37100 -1.07100 1.000 C31 C 8.37200 -1.57900 -1.55200 1.000 C32 C 8.55900 -0.30600 -1.04600 1.000 C33 C 7.71700 0.17600 -0.06100 1.000 C34 C 3.33800 0.30300 1.12000 1.000 C35 C 0.45100 2.43600 0.11200 1.000 C36 C 1.15600 3.64000 -0.00200 1.000 C37 C 0.47100 4.80800 -0.16700 1.000 C38 C -0.92000 4.82400 -0.22400 1.000 C39 C -1.63900 3.67100 -0.11600 1.000 C40 C -0.96700 2.45100 0.05300 1.000 H41 H -3.08800 -0.47800 1.85600 1.000 H42 H -3.87200 -6.77500 0.20200 1.000 H43 H -3.91200 -5.53600 -1.07800 1.000 H44 H -0.34600 -2.25200 -0.91500 1.000 H45 H 6.32500 0.61400 2.12700 1.000 H46 H 5.42800 -0.92400 2.11400 1.000 H47 H -6.60700 0.39700 -1.34600 1.000 H48 H -5.45800 0.28200 0.00900 1.000 H49 H -6.19100 1.85000 -0.40600 1.000 H50 H -4.91500 -0.63300 -2.86900 1.000 H51 H -3.29400 0.08600 -3.01400 1.000 H52 H -3.76600 -0.74800 -1.51400 1.000 H53 H -5.44800 3.05400 -2.52000 1.000 H54 H -4.34600 2.21700 -3.64000 1.000 H55 H -6.00000 1.60600 -3.39700 1.000 H56 H -3.49200 0.15000 0.07200 1.000 H57 H -3.85400 1.82400 3.30700 1.000 H58 H -4.25600 -2.62800 2.06300 1.000 H59 H -1.45200 -6.22800 0.58700 1.000 H60 H -1.75900 -6.83900 -1.06000 1.000 H61 H -1.70600 -4.61200 -1.98500 1.000 H62 H -0.28400 -4.75000 -0.92500 1.000 H63 H 3.21000 2.74800 -1.06600 1.000 H64 H 5.70600 -2.50900 0.29400 1.000 H65 H 7.20000 -3.36500 -1.46600 1.000 H66 H 9.02800 -1.95500 -2.32400 1.000 H67 H 9.36000 0.31200 -1.42200 1.000 H68 H 7.86100 1.17200 0.33100 1.000 H69 H 2.95800 -0.45100 1.79300 1.000 H70 H 2.23500 3.64400 0.04100 1.000 H71 H 1.01700 5.73600 -0.25500 1.000 H72 H -1.43700 5.76300 -0.35500 1.000 H73 H -2.71800 3.69600 -0.16100 1.000