# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CVE' 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 -2.44400 1.27300 0.12400 1.000 C1 C -3.82700 3.07100 0.68700 1.000 N2 N -2.92300 3.95000 0.21800 1.000 C3 C -4.59900 0.81300 1.16000 1.000 C4 C -3.99000 -0.01200 2.29600 1.000 C5 C -5.04600 -0.10800 0.05400 1.000 O6 O -4.87100 3.48000 1.15800 1.000 C7 C -3.20700 5.38600 0.28200 1.000 O8 O -2.23700 0.07400 0.07900 1.000 C9 C -1.73800 3.51500 -0.31800 1.000 C10 C -1.47700 2.18700 -0.37600 1.000 N11 N -3.59500 1.74600 0.64200 1.000 N12 N -5.97200 -1.05600 0.30000 1.000 O13 O -4.57300 0.00400 -1.05700 1.000 N14 N -0.26900 1.72000 -0.92100 1.000 C15 C 0.56600 0.97500 -0.17000 1.000 C16 C 1.88200 0.57600 -0.70500 1.000 O17 O 0.23400 0.63000 0.94800 1.000 C18 C 2.74900 -0.19700 0.07300 1.000 C19 C 3.97600 -0.56700 -0.42800 1.000 C20 C 4.35400 -0.17200 -1.70900 1.000 C21 C 3.49300 0.59900 -2.48500 1.000 C22 C 2.26300 0.96700 -1.99200 1.000 N23 N 5.59600 -0.54700 -2.21300 1.000 C24 C 6.68100 -0.68000 -1.35700 1.000 C25 C 7.90300 -1.17000 -1.85100 1.000 N26 N 8.93900 -1.30200 -1.05800 1.000 N27 N 6.56000 -0.34000 -0.08800 1.000 C28 C 7.60900 -0.46300 0.73400 1.000 C29 C 8.83500 -0.96800 0.23500 1.000 C30 C 9.93200 -1.09500 1.10400 1.000 C31 C 9.80400 -0.73200 2.41000 1.000 C32 C 8.59800 -0.23700 2.90100 1.000 C33 C 7.51000 -0.11600 2.09200 1.000 C34 C -6.40700 -1.95100 -0.77500 1.000 C35 C -7.52200 -1.27900 -1.57900 1.000 O36 O -6.02500 -5.15600 1.12100 1.000 C37 C -5.80000 -3.97900 0.51600 1.000 C38 C -6.92900 -3.25700 -0.17200 1.000 O39 O -4.69100 -3.49900 0.52300 1.000 O40 O -8.66900 -1.10300 -0.74600 1.000 H41 H -5.45500 1.37200 1.53600 1.000 H42 H -4.73700 -0.70600 2.68100 1.000 H43 H -3.13400 -0.57200 1.92000 1.000 H44 H -3.66700 0.65400 3.09600 1.000 H45 H -2.83900 5.78700 1.22600 1.000 H46 H -2.70900 5.89100 -0.54600 1.000 H47 H -4.28200 5.54700 0.21200 1.000 H48 H -1.01700 4.22600 -0.69300 1.000 H49 H -6.35000 -1.14600 1.18900 1.000 H50 H -0.03600 1.93400 -1.83800 1.000 H51 H 2.45600 -0.50300 1.06600 1.000 H52 H 4.64600 -1.16400 0.17200 1.000 H53 H 3.78800 0.90000 -3.48000 1.000 H54 H 1.59500 1.56400 -2.59500 1.000 H55 H 5.70300 -0.71600 -3.16200 1.000 H56 H 7.98900 -1.44100 -2.89300 1.000 H57 H 10.87300 -1.47800 0.73800 1.000 H58 H 10.64900 -0.83100 3.07500 1.000 H59 H 8.52100 0.04300 3.94100 1.000 H60 H 6.58100 0.27000 2.48600 1.000 H61 H -5.56400 -2.16600 -1.43200 1.000 H62 H -7.17800 -0.30700 -1.93400 1.000 H63 H -7.78400 -1.90600 -2.43100 1.000 H64 H -5.27000 -5.58200 1.54900 1.000 H65 H -7.71300 -3.03400 0.55200 1.000 H66 H -7.33400 -3.88600 -0.96400 1.000 H67 H -9.41700 -0.68100 -1.19100 1.000