# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CPK' 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 6.60900 -3.19100 -1.59200 1.000 C1 C 5.95500 -2.83200 -0.47600 1.000 O2 O 5.31500 -3.65100 0.14000 1.000 C3 C 6.02000 -1.40600 0.00900 1.000 O4 O 5.35400 -1.30500 1.26600 1.000 C5 C 5.63900 -0.00600 1.79000 1.000 C6 C 7.48300 -0.99400 0.17600 1.000 O7 O 5.39600 -0.55600 -0.95100 1.000 C8 C 5.68300 0.79100 -0.57100 1.000 C9 C 5.10100 1.05300 0.82200 1.000 O10 O 3.65200 0.97200 0.76800 1.000 C11 C 2.92500 2.07700 0.51800 1.000 O12 O 3.48100 3.14300 0.33900 1.000 N13 N 1.58000 2.00200 0.46800 1.000 C14 C 0.77400 3.20000 0.19600 1.000 C15 C -0.13000 2.91900 -1.01100 1.000 C16 C 0.89500 0.71900 0.67700 1.000 C17 C -0.00900 0.43900 -0.52500 1.000 N18 N -0.81600 1.63700 -0.79600 1.000 C19 C -2.16000 1.56200 -0.84700 1.000 O20 O -2.81700 2.55900 -1.07200 1.000 O21 O -2.77600 0.38100 -0.64800 1.000 C22 C -4.22500 0.30000 -0.70300 1.000 C23 C -4.64300 -1.09100 -1.19000 1.000 O24 O -6.06600 -1.20500 -1.11500 1.000 C25 C -4.80500 0.52900 0.69700 1.000 O26 O -6.21800 0.31700 0.65800 1.000 C27 C -6.43000 -1.03400 0.25400 1.000 C28 C -5.57900 -1.96200 1.12400 1.000 C29 C -7.88600 -1.38200 0.43000 1.000 O30 O -8.56300 -1.65100 -0.53300 1.000 O31 O -8.42900 -1.39300 1.65700 1.000 H32 H 6.56800 -4.10600 -1.90300 1.000 H33 H 5.15700 0.10900 2.76100 1.000 H34 H 6.71600 0.11400 1.90000 1.000 H35 H 7.96500 -1.64700 0.90300 1.000 H36 H 7.99600 -1.07700 -0.78300 1.000 H37 H 7.53200 0.03800 0.52600 1.000 H38 H 5.23200 1.47700 -1.28900 1.000 H39 H 6.76200 0.94200 -0.54900 1.000 H40 H 5.40100 2.04500 1.16300 1.000 H41 H 0.16000 3.43300 1.06600 1.000 H42 H 1.43100 4.04100 -0.02600 1.000 H43 H -0.86700 3.71600 -1.11000 1.000 H44 H 0.47500 2.86300 -1.91600 1.000 H45 H 1.63100 -0.07900 0.77400 1.000 H46 H 0.29100 0.77600 1.58300 1.000 H47 H -0.66600 -0.40100 -0.30200 1.000 H48 H 0.60500 0.20700 -1.39500 1.000 H49 H -4.60800 1.05700 -1.38700 1.000 H50 H -4.32100 -1.22800 -2.22200 1.000 H51 H -4.18300 -1.85200 -0.55900 1.000 H52 H -4.35100 -0.17100 1.39900 1.000 H53 H -4.59900 1.55100 1.01400 1.000 H54 H -4.52500 -1.71200 0.99800 1.000 H55 H -5.85900 -1.83900 2.16900 1.000 H56 H -5.74500 -2.99600 0.82200 1.000 H57 H -9.36300 -1.61600 1.77100 1.000