# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '076' 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 -3.35200 -1.06500 0.25900 1.000 O1 O -3.14000 -1.80000 1.20000 1.000 C2 C -4.76400 -0.84100 -0.21900 1.000 O3 O -5.66600 -1.59900 0.59100 1.000 C4 C -6.98900 -1.50800 0.29100 1.000 C5 C -7.92000 -2.21700 1.03600 1.000 C6 C -9.26400 -2.12400 0.72900 1.000 C7 C -9.68100 -1.32500 -0.32000 1.000 C8 C -8.75400 -0.61800 -1.06400 1.000 C9 C -7.41000 -0.70300 -0.75700 1.000 N10 N -2.32700 -0.44300 -0.35600 1.000 C11 C -0.95400 -0.66000 0.10800 1.000 C12 C -0.10300 0.52500 -0.26900 1.000 O13 O -0.47100 1.28300 -1.14100 1.000 C14 C -0.38900 -1.92300 -0.54500 1.000 C15 C -1.19200 -3.14000 -0.08200 1.000 C16 C -0.48500 -1.79700 -2.06700 1.000 C17 C 7.47100 -1.89100 1.16500 1.000 C18 C 8.80500 -2.10000 1.45900 1.000 C19 C 9.75400 -2.02300 0.45700 1.000 C20 C 9.36900 -1.73700 -0.83900 1.000 C21 C 8.03400 -1.52900 -1.13400 1.000 C22 C 7.08500 -1.60600 -0.13200 1.000 C23 C 5.63000 -1.38500 -0.45400 1.000 C24 C 5.29300 0.10000 -0.29900 1.000 O25 O 4.82700 0.80100 -1.45400 1.000 C26 C 3.83200 0.52100 -0.46800 1.000 C27 C 3.32300 1.68600 0.38200 1.000 O28 O 3.46100 1.36200 1.76700 1.000 C29 C 1.84900 1.94500 0.06400 1.000 C30 C 1.34000 3.11000 0.91400 1.000 C31 C -0.07300 3.44500 0.51400 1.000 C32 C -0.30800 4.36800 -0.48800 1.000 C33 C -1.60500 4.67500 -0.85500 1.000 C34 C -2.66700 4.05800 -0.22100 1.000 C35 C -2.43300 3.13400 0.78000 1.000 C36 C -1.13600 2.82400 1.14400 1.000 N37 N 1.06700 0.74300 0.36400 1.000 H38 H -5.01000 0.21800 -0.14300 1.000 H39 H -4.85200 -1.16100 -1.25700 1.000 H40 H -7.59500 -2.84100 1.85500 1.000 H41 H -9.98900 -2.67500 1.30800 1.000 H42 H -10.73100 -1.25300 -0.55800 1.000 H43 H -9.08300 0.00900 -1.88000 1.000 H44 H -6.68700 -0.15100 -1.33900 1.000 H45 H -2.49700 0.14800 -1.10600 1.000 H46 H -0.95200 -0.77900 1.19200 1.000 H47 H 0.65500 -2.04500 -0.25600 1.000 H48 H -2.21100 -3.06900 -0.46300 1.000 H49 H -0.72400 -4.04900 -0.46100 1.000 H50 H -1.21200 -3.16900 1.00800 1.000 H51 H 0.08700 -0.92900 -2.39600 1.000 H52 H -0.08200 -2.69600 -2.53200 1.000 H53 H -1.52900 -1.67500 -2.35500 1.000 H54 H 6.72900 -1.95600 1.94700 1.000 H55 H 9.10600 -2.32300 2.47200 1.000 H56 H 10.79700 -2.18500 0.68700 1.000 H57 H 10.11100 -1.67700 -1.62200 1.000 H58 H 7.73300 -1.30700 -2.14700 1.000 H59 H 5.43300 -1.69700 -1.48000 1.000 H60 H 5.01400 -1.97000 0.22800 1.000 H61 H 5.90100 0.65000 0.41900 1.000 H62 H 3.10200 -0.25700 -0.69000 1.000 H63 H 3.90500 2.58000 0.15900 1.000 H64 H 2.96900 0.57500 2.03800 1.000 H65 H 1.74400 2.19200 -0.99200 1.000 H66 H 1.36300 2.82900 1.96700 1.000 H67 H 1.97800 3.98000 0.75700 1.000 H68 H 0.52200 4.85000 -0.98300 1.000 H69 H -1.78800 5.39700 -1.63700 1.000 H70 H -3.68000 4.29900 -0.50700 1.000 H71 H -3.26300 2.65300 1.27600 1.000 H72 H -0.95200 2.09900 1.92300 1.000 H73 H 1.39100 0.10400 1.01800 1.000