# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CCX' 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 -7.54100 -0.63400 -0.46700 1.000 C1 C -8.63700 -1.44800 -0.11800 1.000 C2 C -7.71200 0.74200 -0.60900 1.000 C3 C -9.88900 -0.86900 0.08300 1.000 C4 C -8.97100 1.29800 -0.40300 1.000 C5 C -10.05400 0.47700 -0.05800 1.000 C6 C -6.39500 -1.53600 -0.60800 1.000 C7 C -6.84000 -2.77600 -0.35100 1.000 N8 N -8.17500 -2.74100 -0.05200 1.000 C9 C -4.98600 -1.14600 -0.97300 1.000 C10 C -9.16100 2.71000 -0.54500 1.000 N11 N -9.31200 3.83000 -0.65800 1.000 C12 C -4.23300 -0.71700 0.28800 1.000 C13 C -2.80200 -0.32100 -0.08300 1.000 C14 C -2.04900 0.10800 1.17800 1.000 C15 C 1.37500 1.63900 1.50900 1.000 C16 C 2.20700 0.46400 0.98800 1.000 C17 C 0.00400 1.12700 1.95700 1.000 C18 C 1.45500 -0.21400 -0.16100 1.000 N19 N -0.67600 0.48800 0.82300 1.000 C20 C 0.08200 -0.67200 0.33500 1.000 N21 N 3.49900 0.95600 0.50400 1.000 C22 C 4.56500 0.13200 0.47300 1.000 C23 C 5.86700 0.62800 -0.01500 1.000 C24 C 8.31700 1.58800 -0.94100 1.000 C25 C 8.20900 0.26600 -0.51700 1.000 C26 C 7.21400 2.41600 -0.90700 1.000 C27 C 6.98100 -0.22700 -0.04900 1.000 C28 C 5.99700 1.94600 -0.44900 1.000 C29 C 9.15800 -0.85900 -0.42300 1.000 C30 C 8.45400 -1.91600 0.07200 1.000 N31 N 7.16700 -1.54300 0.29600 1.000 C32 C 10.54400 -0.84500 -0.78200 1.000 N33 N 11.64400 -0.83300 -1.06600 1.000 O34 O 4.45500 -1.01900 0.84600 1.000 H35 H -6.87600 1.37000 -0.87500 1.000 H36 H -10.73100 -1.49000 0.35000 1.000 H37 H -11.02800 0.91500 0.10000 1.000 H38 H -6.23300 -3.66900 -0.37400 1.000 H39 H -8.71700 -3.51500 0.16900 1.000 H40 H -4.47900 -1.99800 -1.42600 1.000 H41 H -5.01000 -0.31900 -1.68200 1.000 H42 H -4.74000 0.13500 0.74100 1.000 H43 H -4.20900 -1.54500 0.99600 1.000 H44 H -2.29600 -1.17300 -0.53600 1.000 H45 H -2.82600 0.50700 -0.79100 1.000 H46 H -2.55600 0.96000 1.63200 1.000 H47 H -2.02600 -0.72000 1.88700 1.000 H48 H 1.88500 2.09900 2.35500 1.000 H49 H 1.24700 2.37500 0.71600 1.000 H50 H 2.36800 -0.25400 1.79200 1.000 H51 H 0.13100 0.40100 2.76000 1.000 H52 H -0.59600 1.96300 2.31600 1.000 H53 H 1.32900 0.49300 -0.98100 1.000 H54 H 2.02300 -1.07700 -0.50800 1.000 H55 H -0.46200 -1.14200 -0.48400 1.000 H56 H 0.20900 -1.38900 1.14600 1.000 H57 H 3.58800 1.87500 0.20600 1.000 H58 H 9.26400 1.96400 -1.30000 1.000 H59 H 7.30200 3.44100 -1.23700 1.000 H60 H 5.14100 2.60400 -0.42800 1.000 H61 H 8.85900 -2.89900 0.26200 1.000 H62 H 6.47600 -2.12500 0.65000 1.000