# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0ZQ' 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 -6.78000 0.12000 1.05400 1.000 C1 C -6.15700 0.89500 0.35700 1.000 O2 O -6.41000 2.21600 0.42600 1.000 C3 C -7.44000 2.64100 1.35600 1.000 C4 C -7.05100 2.22300 2.77500 1.000 C5 C -7.58500 4.16300 1.29600 1.000 C6 C -8.77100 1.98700 0.97900 1.000 N7 N -5.20900 0.43400 -0.48300 1.000 C8 C -4.92900 -1.00200 -0.55400 1.000 C9 C -3.49600 -1.21900 -1.04300 1.000 C10 C -5.90600 -1.66400 -1.52800 1.000 C11 C -7.30700 -1.55700 -0.98400 1.000 C12 C -8.09100 -0.46400 -1.30400 1.000 C13 C -7.81100 -2.55500 -0.17100 1.000 C14 C -9.37700 -0.36600 -0.80500 1.000 C15 C -9.09700 -2.45700 0.32700 1.000 C16 C -9.87900 -1.36200 0.01200 1.000 C17 C -2.51400 -0.66600 -0.00700 1.000 N18 N -1.13800 -0.87500 -0.47600 1.000 C19 C -0.16900 -0.29100 0.46100 1.000 C20 C 1.11700 0.00600 -0.26700 1.000 O21 O 1.21600 -0.24400 -1.45000 1.000 C22 C 0.10400 -1.28200 1.59500 1.000 C23 C 0.61200 -2.57800 1.01800 1.000 C24 C 1.97200 -2.81200 0.93500 1.000 C25 C -0.28200 -3.53600 0.57800 1.000 C26 C 2.43700 -4.00100 0.40600 1.000 C27 C 0.18300 -4.72500 0.04900 1.000 C28 C 1.54300 -4.95700 -0.03900 1.000 N29 N 2.15700 0.54900 0.39600 1.000 C30 C 3.40700 0.83700 -0.31100 1.000 C31 C 4.55100 0.84000 0.67000 1.000 O32 O 4.34200 0.62100 1.84500 1.000 C33 C 3.30800 2.20900 -0.98200 1.000 C34 C 2.22900 2.17000 -2.06600 1.000 C35 C 2.13200 3.52000 -2.72700 1.000 O36 O 2.85200 4.42200 -2.36800 1.000 O37 O 1.24500 3.72200 -3.71500 1.000 N38 N 5.80500 1.08400 0.24200 1.000 C39 C 6.91700 1.08600 1.19600 1.000 C40 C 7.02600 2.44500 1.83800 1.000 O41 O 6.25100 3.32500 1.52900 1.000 C42 C 8.22000 0.76300 0.46200 1.000 C43 C 8.15800 -0.64300 -0.07600 1.000 C44 C 7.65600 -0.87800 -1.34200 1.000 C45 C 8.60800 -1.69900 0.69600 1.000 C46 C 7.60000 -2.16800 -1.83500 1.000 C47 C 8.55200 -2.98900 0.20300 1.000 C48 C 8.04500 -3.22400 -1.06200 1.000 N49 N 7.98400 2.68200 2.75500 1.000 H50 H -6.10300 2.68900 3.04500 1.000 H51 H -7.82400 2.54200 3.47400 1.000 H52 H -6.94800 1.13800 2.81900 1.000 H53 H -7.86300 4.46200 0.28500 1.000 H54 H -8.35900 4.48300 1.99400 1.000 H55 H -6.63700 4.63000 1.56500 1.000 H56 H -8.66800 0.90300 1.02200 1.000 H57 H -9.54400 2.30700 1.67700 1.000 H58 H -9.04800 2.28600 -0.03200 1.000 H59 H -4.71200 1.05300 -1.04000 1.000 H60 H -5.04700 -1.44500 0.43500 1.000 H61 H -3.31600 -2.28500 -1.18000 1.000 H62 H -3.35300 -0.70100 -1.99100 1.000 H63 H -5.85200 -1.16300 -2.49400 1.000 H64 H -5.64200 -2.71500 -1.64900 1.000 H65 H -7.69900 0.31300 -1.94200 1.000 H66 H -7.20100 -3.41200 0.07400 1.000 H67 H -9.98800 0.48800 -1.05400 1.000 H68 H -9.49100 -3.23700 0.96200 1.000 H69 H -10.88300 -1.28500 0.40200 1.000 H70 H -2.69400 0.40000 0.13100 1.000 H71 H -2.65700 -1.18400 0.94200 1.000 H72 H -1.01300 -0.50200 -1.40500 1.000 H73 H -0.57400 0.63200 0.87500 1.000 H74 H 0.85400 -0.86500 2.26800 1.000 H75 H -0.81800 -1.46500 2.14600 1.000 H76 H 2.67000 -2.06500 1.28200 1.000 H77 H -1.34500 -3.35500 0.64800 1.000 H78 H 3.50000 -4.18300 0.34000 1.000 H79 H -0.51500 -5.47400 -0.29400 1.000 H80 H 1.90700 -5.88600 -0.45300 1.000 H81 H 2.07800 0.74800 1.34200 1.000 H82 H 3.58000 0.07400 -1.06900 1.000 H83 H 3.04700 2.96000 -0.23700 1.000 H84 H 4.26700 2.46300 -1.43300 1.000 H85 H 2.49000 1.41800 -2.81200 1.000 H86 H 1.27000 1.91600 -1.61500 1.000 H87 H 1.22000 4.60500 -4.10800 1.000 H88 H 5.97200 1.25800 -0.69700 1.000 H89 H 6.73800 0.33500 1.96500 1.000 H90 H 8.35400 1.46200 -0.36400 1.000 H91 H 9.05800 0.85200 1.15300 1.000 H92 H 7.30800 -0.05400 -1.94700 1.000 H93 H 9.00500 -1.51500 1.68300 1.000 H94 H 7.20700 -2.35200 -2.82400 1.000 H95 H 8.90400 -3.81300 0.80500 1.000 H96 H 8.00100 -4.23200 -1.44700 1.000 H97 H 8.60400 1.97900 3.00200 1.000 H98 H 8.05400 3.55700 3.16800 1.000