# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'UPG' 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 4.87100 -1.18800 0.16500 1.000 C1 C 5.43400 -2.19500 0.85700 1.000 N2 N 5.67700 -3.38400 0.27400 1.000 C3 C 5.35800 -3.58300 -1.02100 1.000 C4 C 4.76600 -2.53200 -1.76000 1.000 C5 C 4.53300 -1.35000 -1.15100 1.000 O6 O 5.72600 -2.03000 2.02600 1.000 O7 O 5.57900 -4.65800 -1.54900 1.000 C8 C 4.61300 0.09300 0.82800 1.000 C9 C 5.47700 1.21600 0.20100 1.000 O10 O 6.76600 1.27100 0.81400 1.000 C11 C 4.65300 2.48400 0.53400 1.000 C12 C 3.23100 1.95100 0.79900 1.000 O13 O 3.26000 0.53000 0.58000 1.000 O14 O 5.17100 3.12600 1.70000 1.000 C15 C 2.24200 2.60600 -0.16700 1.000 O16 O 0.91300 2.19500 0.16100 1.000 P17 P -0.38500 2.69300 -0.65100 1.000 O18 O -0.21300 2.38900 -2.09000 1.000 O19 O -0.56300 4.28100 -0.45600 1.000 O20 O -1.69100 1.93400 -0.09500 1.000 P21 P -3.16100 1.65600 -0.68900 1.000 O22 O -3.04900 1.21000 -2.09500 1.000 O23 O -4.03100 3.00900 -0.62300 1.000 O24 O -3.88400 0.51100 0.18200 1.000 C25 C -5.16100 -0.03400 -0.15600 1.000 C26 C -5.88300 -0.47300 1.12000 1.000 C27 C -5.07100 -1.57900 1.80300 1.000 C28 C -4.87700 -2.73600 0.81800 1.000 C29 C -4.19400 -2.21000 -0.44700 1.000 C30 C -4.05100 -3.34800 -1.46000 1.000 O31 O -6.00900 0.64200 2.00500 1.000 O32 O -5.77400 -2.04500 2.95600 1.000 O33 O -4.06000 -3.74200 1.41900 1.000 O34 O -4.98500 -1.16400 -1.01400 1.000 O35 O -3.31000 -2.88700 -2.59200 1.000 H36 H 6.08400 -4.09900 0.78700 1.000 H37 H 4.50400 -2.67300 -2.79900 1.000 H38 H 4.08100 -0.53600 -1.69900 1.000 H39 H 4.80400 0.01500 1.89900 1.000 H40 H 5.56700 1.08200 -0.87700 1.000 H41 H 7.34400 1.95900 0.45600 1.000 H42 H 4.65100 3.17100 -0.31200 1.000 H43 H 2.94200 2.16200 1.82800 1.000 H44 H 6.08500 3.42900 1.60900 1.000 H45 H 2.31700 3.69000 -0.08500 1.000 H46 H 2.47400 2.30200 -1.18800 1.000 H47 H -0.68100 4.55400 0.46500 1.000 H48 H -4.14600 3.36000 0.27100 1.000 H49 H -5.75500 0.72200 -0.66800 1.000 H50 H -6.87300 -0.85100 0.86700 1.000 H51 H -4.09900 -1.18600 2.10100 1.000 H52 H -5.84700 -3.16000 0.55800 1.000 H53 H -3.20700 -1.82300 -0.19300 1.000 H54 H -3.52400 -4.18200 -0.99700 1.000 H55 H -5.04000 -3.67500 -1.78100 1.000 H56 H -6.50800 1.38300 1.63600 1.000 H57 H -5.93800 -1.36200 3.62000 1.000 H58 H -4.43000 -4.11700 2.23000 1.000 H59 H -3.18100 -3.55700 -3.27700 1.000