# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CVQ' 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 3.89500 -0.54500 -0.62600 1.000 C1 C -2.39100 -4.77600 0.51800 1.000 C2 C 1.97600 -1.76900 -0.25000 1.000 C3 C -0.28200 -3.00600 0.28300 1.000 C4 C 0.63000 -1.85900 0.35900 1.000 C5 C -1.43000 -2.64700 1.01200 1.000 C6 C -0.20900 -4.26400 -0.31900 1.000 C7 C -1.25800 -5.13100 -0.20300 1.000 N8 N 2.43900 -2.79700 -0.94900 1.000 C9 C 4.41400 -1.61600 -1.36500 1.000 C10 C 6.10700 4.58300 -0.62500 1.000 O11 O 5.64300 3.23200 -0.60200 1.000 C12 C 4.67500 2.92700 0.30300 1.000 C13 C 4.17800 3.89800 1.15300 1.000 N14 N 3.23800 3.60700 2.03400 1.000 C15 C 2.73500 2.39200 2.14200 1.000 C16 C 3.17600 1.36600 1.33200 1.000 C17 C 4.16300 1.62800 0.38400 1.000 N18 N 4.63300 0.61900 -0.45800 1.000 N19 N 2.68400 -0.65800 -0.09300 1.000 O20 O 5.65000 -1.54000 -1.92600 1.000 C21 C 6.10000 -2.68000 -2.66300 1.000 C22 C 3.63800 -2.75600 -1.50900 1.000 N23 N 0.03300 -0.92500 1.06100 1.000 C24 C -2.48300 -3.55300 1.11900 1.000 N25 N -1.22300 -1.37400 1.48100 1.000 C26 C -2.17000 -0.60600 2.29300 1.000 C27 C -3.07900 0.18700 1.39000 1.000 C28 C -2.72200 1.46700 1.00200 1.000 C29 C -3.55500 2.19700 0.17300 1.000 F30 F -1.55900 2.00400 1.43300 1.000 C31 C -4.26700 -0.36600 0.94500 1.000 F32 F -4.61100 -1.61800 1.32000 1.000 C33 C -5.10200 0.36100 0.11600 1.000 C34 C -4.74800 1.64600 -0.27000 1.000 O35 O -5.56800 2.36200 -1.08400 1.000 C36 C -6.78000 1.73100 -1.50100 1.000 C37 C -7.56600 2.68300 -2.40500 1.000 O38 O -6.82800 2.91600 -3.60600 1.000 H39 H -3.21200 -5.47300 0.60000 1.000 H40 H 0.66900 -4.54700 -0.88000 1.000 H41 H -1.20600 -6.10100 -0.67400 1.000 H42 H 6.87600 4.69100 -1.39000 1.000 H43 H 5.27500 5.25000 -0.85000 1.000 H44 H 6.52500 4.84000 0.34900 1.000 H45 H 4.56300 4.90500 1.09700 1.000 H46 H 1.96700 2.19800 2.87600 1.000 H47 H 2.76000 0.37500 1.42800 1.000 H48 H 5.47500 0.73100 -0.92700 1.000 H49 H 6.13000 -3.54800 -2.00600 1.000 H50 H 5.41400 -2.87200 -3.48800 1.000 H51 H 7.09700 -2.48700 -3.05700 1.000 H52 H 4.00500 -3.59900 -2.07600 1.000 H53 H -3.37000 -3.28800 1.67600 1.000 H54 H -2.76600 -1.28900 2.89900 1.000 H55 H -1.62200 0.07300 2.94500 1.000 H56 H -3.27600 3.19600 -0.13000 1.000 H57 H -6.02900 -0.07100 -0.23200 1.000 H58 H -6.54600 0.82000 -2.05000 1.000 H59 H -7.38100 1.48400 -0.62500 1.000 H60 H -8.53000 2.23900 -2.65100 1.000 H61 H -7.72400 3.62900 -1.88700 1.000 H62 H -7.26700 3.51200 -4.22800 1.000