# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'C4V' 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 -3.76400 4.17600 -2.46200 1.000 C1 C -2.50300 -4.44500 0.08800 1.000 C2 C 0.14300 3.66300 1.47400 1.000 C3 C -1.25400 3.43900 3.53400 1.000 C4 C -0.91900 2.81600 2.17700 1.000 C5 C -3.41700 -3.77300 -0.90400 1.000 C6 C -2.79200 -4.22700 1.57500 1.000 C7 C 1.75300 0.19200 -0.14800 1.000 C8 C -2.18200 2.76300 1.31500 1.000 C9 C -2.66300 3.80500 -1.46600 1.000 C10 C 4.42600 -0.45300 0.65700 1.000 C11 C -1.66400 -2.06200 0.68900 1.000 C12 C -2.85600 -1.39400 0.90000 1.000 C13 C -2.93300 -0.02900 0.69300 1.000 C14 C -1.81300 0.67300 0.27300 1.000 C15 C -0.61200 -0.00100 0.06000 1.000 C16 C -0.54300 -1.37000 0.27100 1.000 C17 C -1.58500 -3.54900 0.92300 1.000 N18 N 0.52400 0.70200 -0.36400 1.000 N19 N -1.89000 2.05400 0.06200 1.000 C20 C -2.88600 2.37500 -0.96900 1.000 C21 C -1.30000 3.90000 -2.15400 1.000 O22 O -4.24300 -4.51100 -1.66200 1.000 O23 O -3.40600 -2.57000 -1.01700 1.000 O24 O 1.88200 -0.82800 0.50000 1.000 N25 N 2.83800 0.81400 -0.65000 1.000 C26 C 4.10500 0.23600 -0.50500 1.000 C27 C 5.67900 -1.01600 0.79900 1.000 C28 C 6.61300 -0.89500 -0.21400 1.000 C29 C 6.29600 -0.20900 -1.37200 1.000 C30 C 5.04300 0.35200 -1.52300 1.000 C31 C 7.97900 -1.51100 -0.05500 1.000 H32 H -4.73500 4.10900 -1.97200 1.000 H33 H -3.60500 5.19500 -2.81600 1.000 H34 H -3.73500 3.48900 -3.30800 1.000 H35 H -2.11800 -5.41900 -0.21200 1.000 H36 H -0.26900 4.64700 1.24700 1.000 H37 H 1.00900 3.77400 2.12700 1.000 H38 H 0.44600 3.17300 0.54900 1.000 H39 H -1.63500 4.45000 3.38500 1.000 H40 H -2.01100 2.83500 4.03400 1.000 H41 H -0.35400 3.47700 4.14800 1.000 H42 H -0.53800 1.80500 2.32600 1.000 H43 H -3.64300 -3.59700 1.83500 1.000 H44 H -2.59700 -5.05800 2.25300 1.000 H45 H -2.96900 2.23600 1.85500 1.000 H46 H -2.51100 3.77700 1.09000 1.000 H47 H -2.69200 4.49200 -0.62000 1.000 H48 H 3.69900 -0.54400 1.45000 1.000 H49 H -3.72900 -1.93900 1.22600 1.000 H50 H -3.86600 0.49000 0.85800 1.000 H51 H 0.38700 -1.89600 0.10700 1.000 H52 H -0.59600 -3.93400 1.17100 1.000 H53 H 0.42600 1.55700 -0.81300 1.000 H54 H -3.88700 2.28900 -0.54700 1.000 H55 H -2.78200 1.68100 -1.80300 1.000 H56 H -1.14100 4.91800 -2.50800 1.000 H57 H -0.51600 3.63500 -1.44400 1.000 H58 H -1.27100 3.21300 -3.00000 1.000 H59 H -4.81000 -4.03500 -2.28400 1.000 H60 H 2.74200 1.66100 -1.11200 1.000 H61 H 5.93000 -1.55300 1.70200 1.000 H62 H 7.02700 -0.11600 -2.16100 1.000 H63 H 4.79600 0.88700 -2.42800 1.000 H64 H 7.96400 -2.53100 -0.43800 1.000 H65 H 8.70900 -0.92400 -0.61100 1.000 H66 H 8.25100 -1.52300 1.00100 1.000