# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CSV' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy O0 O -5.30900 3.59200 1.27300 1.000 C1 C -4.54000 3.02400 0.21200 1.000 C2 C -3.81200 1.77700 0.72000 1.000 O3 O -4.76600 0.75000 1.03700 1.000 C4 C -2.88800 1.22400 -0.38200 1.000 O5 O -1.52900 1.21900 0.06000 1.000 C6 C -3.39000 -0.22300 -0.60700 1.000 O7 O -2.29300 -1.12200 -0.77800 1.000 C8 C -4.14600 -0.51400 0.71900 1.000 N9 N -5.16100 -1.55200 0.52100 1.000 C10 C -6.16200 -1.35000 -0.35600 1.000 N11 N -7.09800 -2.27600 -0.55500 1.000 C12 C -7.06700 -3.42400 0.10800 1.000 C13 C -6.03100 -3.66700 1.03300 1.000 C14 C -5.08400 -2.71800 1.22100 1.000 O15 O -6.21300 -0.30200 -0.97800 1.000 N16 N -8.04000 -4.37300 -0.10600 1.000 P17 P -0.35500 2.01200 -0.70600 1.000 O18 O -0.31900 1.59000 -2.12400 1.000 S19 S -0.72300 4.09700 -0.59800 1.000 O20 O 1.05800 1.67900 -0.01000 1.000 C21 C 2.30700 2.14800 -0.52300 1.000 C22 C 3.44400 1.65300 0.37300 1.000 O23 O 3.60700 0.22500 0.23600 1.000 C24 C 4.79200 2.25000 -0.08900 1.000 O25 O 5.13900 3.38200 0.71200 1.000 C26 C 5.80400 1.10300 0.12700 1.000 O27 O 6.80800 1.49200 1.06800 1.000 C28 C 4.94900 -0.05100 0.69400 1.000 N29 N 5.41300 -1.33700 0.16800 1.000 C30 C 5.88300 -2.27200 1.01300 1.000 N31 N 6.31600 -3.46200 0.55600 1.000 C32 C 6.28500 -3.73600 -0.76400 1.000 C33 C 5.79300 -2.76000 -1.66400 1.000 C34 C 5.36000 -1.57700 -1.17800 1.000 O35 O 5.91700 -2.04000 2.20600 1.000 O36 O 6.67700 -4.81200 -1.17800 1.000 H37 H -5.79900 4.38700 1.02200 1.000 H38 H -5.20100 2.74900 -0.61000 1.000 H39 H -3.81000 3.75300 -0.13900 1.000 H40 H -3.22600 2.02500 1.60500 1.000 H41 H -2.99100 1.81000 -1.29600 1.000 H42 H -4.06700 -0.27200 -1.46000 1.000 H43 H -2.55600 -2.04200 -0.92200 1.000 H44 H -3.44500 -0.80600 1.50200 1.000 H45 H -5.99200 -4.59700 1.58100 1.000 H46 H -4.28000 -2.88100 1.92400 1.000 H47 H -8.75100 -4.20300 -0.74300 1.000 H48 H -8.01400 -5.21200 0.38000 1.000 H49 H -0.73000 4.33500 0.72600 1.000 H50 H 2.45000 1.76800 -1.53400 1.000 H51 H 2.30600 3.23800 -0.54100 1.000 H52 H 3.24900 1.91700 1.41300 1.000 H53 H 4.74500 2.52800 -1.14200 1.000 H54 H 5.97700 3.79600 0.46500 1.000 H55 H 6.25900 0.81200 -0.82000 1.000 H56 H 7.33600 2.25200 0.78800 1.000 H57 H 4.98500 -0.05100 1.78400 1.000 H58 H 5.76000 -2.96100 -2.72500 1.000 H59 H 4.97700 -0.82200 -1.84900 1.000 H60 H 6.65300 -4.12500 1.17900 1.000