# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '03D' 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 2.75800 0.23800 -0.93700 1.000 C1 C 4.02600 0.25200 -0.08000 1.000 C2 C 5.25200 0.37300 -0.98700 1.000 C3 C 6.49100 0.50900 -0.14000 1.000 C4 C 7.18400 -0.61900 0.25800 1.000 C5 C 8.32100 -0.49300 1.03500 1.000 C6 C 8.76500 0.76000 1.41300 1.000 C7 C 8.07200 1.88800 1.01500 1.000 C8 C 6.93800 1.76300 0.23400 1.000 O9 O 2.85200 -0.80300 -1.91000 1.000 O10 O 4.10600 -0.96100 0.67100 1.000 C11 C -0.93400 0.10800 0.05500 1.000 C12 C 0.26100 0.17800 -0.86000 1.000 C13 C 1.54100 -0.00700 -0.04200 1.000 C14 C -1.00500 -0.63200 -2.85500 1.000 C15 C -2.15300 -1.64200 -2.89500 1.000 C16 C -1.17900 -1.54500 -4.07100 1.000 C17 C 0.16400 -0.92800 -1.91300 1.000 O18 O -0.78400 -0.15400 1.23000 1.000 C19 C -3.99200 -0.96500 0.55000 1.000 C20 C -3.31500 0.40500 0.47900 1.000 C21 C -4.31500 1.44200 -0.03500 1.000 C22 C -3.67800 2.83200 0.01200 1.000 C23 C -4.63000 3.85200 -0.61700 1.000 C24 C -3.99200 5.24200 -0.57000 1.000 C25 C -3.72000 5.62900 0.88600 1.000 C26 C -2.76800 4.60900 1.51500 1.000 C27 C -3.40500 3.21900 1.46700 1.000 N28 N -2.17000 0.33700 -0.43200 1.000 O29 O -4.44900 -1.33900 -0.75200 1.000 C30 C -2.99000 -2.00400 1.05600 1.000 C31 C -3.66700 -3.37400 1.12700 1.000 C32 C -2.63400 -4.43500 1.51300 1.000 C33 C -3.33400 -5.78200 1.70500 1.000 C34 C -1.58900 -4.55700 0.40300 1.000 O35 O -2.53400 -1.63100 2.35800 1.000 H36 H 2.65000 1.19900 -1.44100 1.000 H37 H 3.99400 1.10100 0.60300 1.000 H38 H 5.33400 -0.51900 -1.60900 1.000 H39 H 5.14800 1.25100 -1.62300 1.000 H40 H 6.83700 -1.59800 -0.03700 1.000 H41 H 8.86200 -1.37500 1.34600 1.000 H42 H 9.65200 0.85800 2.02000 1.000 H43 H 8.41800 2.86700 1.31100 1.000 H44 H 6.39900 2.64400 -0.08100 1.000 H45 H 2.95000 -1.68800 -1.53100 1.000 H46 H 4.13800 -1.76000 0.12600 1.000 H47 H 0.28400 1.15000 -1.35400 1.000 H48 H 1.57700 -1.02400 0.35000 1.000 H49 H 1.54900 0.70200 0.78600 1.000 H50 H -1.25600 0.42100 -2.97700 1.000 H51 H -2.07700 -2.51600 -2.24900 1.000 H52 H -3.16100 -1.25300 -3.04200 1.000 H53 H -1.54600 -1.09200 -4.99200 1.000 H54 H -0.46200 -2.35600 -4.19800 1.000 H55 H 1.09100 -0.96800 -2.48400 1.000 H56 H -0.00100 -1.88500 -1.41900 1.000 H57 H -4.84100 -0.91600 1.23200 1.000 H58 H -2.97200 0.69200 1.47300 1.000 H59 H -4.59000 1.20400 -1.06200 1.000 H60 H -5.20700 1.43000 0.59200 1.000 H61 H -2.74000 2.82100 -0.54200 1.000 H62 H -4.82400 3.57600 -1.65300 1.000 H63 H -5.56800 3.86300 -0.06200 1.000 H64 H -3.05400 5.23000 -1.12400 1.000 H65 H -4.67000 5.96800 -1.01800 1.000 H66 H -3.26600 6.61900 0.91900 1.000 H67 H -4.65800 5.64000 1.44000 1.000 H68 H -1.83000 4.59800 0.96000 1.000 H69 H -2.57400 4.88500 2.55100 1.000 H70 H -4.34400 3.23100 2.02200 1.000 H71 H -2.72700 2.49300 1.91500 1.000 H72 H -2.30100 0.45700 -1.38500 1.000 H73 H -3.73700 -1.50000 -1.38700 1.000 H74 H -2.14100 -2.05300 0.37400 1.000 H75 H -4.46000 -3.35000 1.87400 1.000 H76 H -4.09300 -3.62000 0.15400 1.000 H77 H -2.14500 -4.14400 2.44200 1.000 H78 H -3.82300 -6.07300 0.77600 1.000 H79 H -2.59800 -6.53700 1.98000 1.000 H80 H -4.07800 -5.69500 2.49600 1.000 H81 H -0.85300 -5.31200 0.67800 1.000 H82 H -2.07800 -4.84800 -0.52700 1.000 H83 H -1.09100 -3.59700 0.26600 1.000 H84 H -3.23800 -1.56800 3.01800 1.000