# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'C77' 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 -8.81400 3.26300 1.07000 1.000 C1 C -8.58400 2.13200 1.71200 1.000 N2 N -7.57200 1.34400 1.41400 1.000 C3 C -6.73000 1.66400 0.43700 1.000 C4 C -6.93200 2.85700 -0.27600 1.000 C5 C -8.02600 3.66500 0.07900 1.000 N6 N -8.27600 4.85100 -0.58800 1.000 N7 N -5.94600 2.94100 -1.20200 1.000 C8 C -5.17100 1.90100 -1.10400 1.000 N9 N -5.61200 1.08200 -0.10700 1.000 C10 C -7.11900 -3.86100 -1.02800 1.000 C11 C -5.82300 -4.71600 0.94200 1.000 O12 O 11.13000 -1.92200 0.16400 1.000 C13 C 0.27200 -1.85100 -0.33400 1.000 C14 C 4.83000 -0.55900 0.92400 1.000 C15 C 3.41300 -0.24600 0.44100 1.000 C16 C 5.77900 0.55400 0.47600 1.000 C17 C 2.46400 -1.35900 0.89000 1.000 C18 C 7.19700 0.24200 0.95900 1.000 C19 C 9.99400 2.11200 -1.31800 1.000 C20 C -2.04700 -1.64000 -1.27200 1.000 N21 N 0.37100 0.06700 0.64600 1.000 N22 N -0.78000 -0.03400 0.08000 1.000 N23 N 11.30800 0.24000 -0.42400 1.000 N24 N 9.77500 -0.38900 1.09300 1.000 O25 O -3.61800 -0.20700 -0.06800 1.000 O26 O -4.72200 -3.48200 -0.84300 1.000 O27 O -6.11600 -2.32300 0.57600 1.000 S28 S 8.31000 1.37300 -1.32100 1.000 C29 C 10.76300 -0.76800 0.27100 1.000 C30 C 1.06800 -1.05100 0.41400 1.000 C31 C -3.28900 -1.57600 -0.38100 1.000 C32 C 8.14600 1.35500 0.51100 1.000 C33 C -4.53300 -2.09100 -1.14500 1.000 C34 C -5.69600 -1.35700 -0.41400 1.000 C35 C -5.00500 -0.18400 0.30700 1.000 N36 N -0.88200 -1.16800 -0.51900 1.000 C37 C -5.94100 -3.59200 -0.08900 1.000 C38 C 10.63300 1.49500 -0.05800 1.000 C39 C 9.58600 1.06600 0.97700 1.000 H40 H -9.25000 1.84300 2.51100 1.000 H41 H -9.03400 5.40000 -0.33400 1.000 H42 H -7.69300 5.13400 -1.31000 1.000 H43 H -4.30600 1.71300 -1.72300 1.000 H44 H -8.03900 -3.92600 -0.44700 1.000 H45 H -7.20100 -3.04900 -1.75000 1.000 H46 H -6.95500 -4.80100 -1.55600 1.000 H47 H -5.64900 -5.66200 0.42900 1.000 H48 H -4.98900 -4.50800 1.61200 1.000 H49 H -6.74600 -4.77900 1.51800 1.000 H50 H 0.51100 -2.83500 -0.71100 1.000 H51 H 4.83700 -0.62600 2.01200 1.000 H52 H 5.15800 -1.50800 0.50000 1.000 H53 H 3.08600 0.70300 0.86500 1.000 H54 H 3.40600 -0.17900 -0.64700 1.000 H55 H 5.77300 0.62100 -0.61200 1.000 H56 H 5.45200 1.50300 0.90000 1.000 H57 H 2.79100 -2.30900 0.46500 1.000 H58 H 2.47000 -1.42600 1.97700 1.000 H59 H 7.20300 0.17500 2.04700 1.000 H60 H 7.52400 -0.70800 0.53500 1.000 H61 H 10.54500 1.82200 -2.21200 1.000 H62 H 9.93900 3.19700 -1.23100 1.000 H63 H -1.88100 -2.66900 -1.59100 1.000 H64 H -2.19400 -1.00700 -2.14700 1.000 H65 H 12.03100 0.15500 -1.06400 1.000 H66 H 9.26700 -0.97800 1.67200 1.000 H67 H -3.13400 -2.15100 0.53200 1.000 H68 H 7.80500 2.32300 0.87800 1.000 H69 H -4.48900 -1.89000 -2.21600 1.000 H70 H -6.50000 -1.04800 -1.08200 1.000 H71 H -5.09900 -0.30500 1.38700 1.000 H72 H 11.34500 2.19200 0.38400 1.000 H73 H 9.77600 1.54900 1.93600 1.000