# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'C1N' 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 -11.47900 -11.52500 1.13100 1.000 C1 C -11.75400 -12.63400 0.33100 1.000 C2 C -11.64900 -13.92000 0.86200 1.000 C3 C -11.26800 -14.09600 2.19300 1.000 C4 C -10.99200 -12.98600 2.99200 1.000 C5 C -11.10000 -11.70800 2.45600 1.000 C6 C -10.80300 -10.51400 3.31500 1.000 O7 O -9.41200 -10.19200 3.20500 1.000 C8 C -8.98900 -9.11900 3.93700 1.000 O9 O -9.71200 -8.44000 4.65900 1.000 N10 N -7.63600 -8.92000 3.73900 1.000 C11 C -6.87900 -7.86900 4.36700 1.000 C12 C -5.43800 -7.23000 6.42500 1.000 C13 C -6.34800 -6.03500 6.72100 1.000 C14 C -4.21700 -6.76400 5.63000 1.000 C15 C -5.80100 -7.43900 3.37700 1.000 C16 C -6.23800 -8.32200 5.68500 1.000 O17 O -5.24300 -8.22400 2.61300 1.000 N18 N -5.57100 -6.06800 3.41200 1.000 C19 C -4.63900 -5.39700 2.54400 1.000 C20 C -5.30800 -4.87700 1.26500 1.000 C21 C -4.35500 -4.17500 0.27600 1.000 C22 C -3.23100 -5.13400 -0.12700 1.000 C23 C -3.75500 -2.89300 0.85600 1.000 C24 C -4.04200 -4.23700 3.33500 1.000 N25 N -2.69100 -4.42300 3.59200 1.000 C26 C -1.89700 -3.49700 4.36600 1.000 C27 C -1.83600 -3.86900 5.84900 1.000 O28 O -4.70900 -3.28200 3.72900 1.000 C29 C -0.50000 -3.51500 3.76500 1.000 O30 O 0.20700 -4.52300 3.76500 1.000 C31 C -0.03100 -2.23800 3.11700 1.000 C32 C -1.00900 -2.90100 6.65900 1.000 C33 C 0.34800 -3.13300 6.81600 1.000 C34 C 1.11300 -2.23800 7.56600 1.000 C35 C 0.51000 -1.12300 8.14800 1.000 C36 C -0.85700 -0.90300 7.98100 1.000 C37 C -1.62200 -1.79700 7.23200 1.000 O38 O 1.25500 -0.25100 8.88000 1.000 F39 F 1.23300 -2.36800 2.63100 1.000 H40 H -11.56300 -10.52700 0.70800 1.000 H41 H -12.05100 -12.49700 -0.70400 1.000 H42 H -11.86300 -14.78400 0.24000 1.000 H43 H -11.18600 -15.09700 2.60600 1.000 H44 H -10.69600 -13.13300 4.02700 1.000 H45 H -11.39600 -9.64900 3.00200 1.000 H46 H -11.04100 -10.72300 4.36400 1.000 H47 H -7.14600 -9.55500 3.11300 1.000 H48 H -7.56600 -7.03100 4.52500 1.000 H49 H -5.09100 -7.62800 7.38600 1.000 H50 H -5.80700 -5.26400 7.28100 1.000 H51 H -7.20900 -6.34100 7.32400 1.000 H52 H -6.72400 -5.58200 5.79700 1.000 H53 H -4.50200 -6.41700 4.63100 1.000 H54 H -3.71300 -5.93800 6.14300 1.000 H55 H -3.48400 -7.56800 5.51700 1.000 H56 H -5.57000 -9.17100 5.48200 1.000 H57 H -7.01800 -8.71000 6.35400 1.000 H58 H -6.09300 -5.49900 4.07700 1.000 H59 H -3.84300 -6.11300 2.31500 1.000 H60 H -6.10600 -4.17500 1.54200 1.000 H61 H -5.80700 -5.71000 0.75100 1.000 H62 H -4.90900 -3.91400 -0.63400 1.000 H63 H -2.56500 -4.66600 -0.86000 1.000 H64 H -3.64000 -6.04200 -0.58200 1.000 H65 H -2.62900 -5.42800 0.73900 1.000 H66 H -3.24400 -3.08800 1.80500 1.000 H67 H -3.02600 -2.45800 0.16300 1.000 H68 H -4.52500 -2.13600 1.03100 1.000 H69 H -2.22600 -5.25200 3.23200 1.000 H70 H -2.33700 -2.50600 4.21400 1.000 H71 H -1.44100 -4.88700 5.97300 1.000 H72 H -2.84900 -3.89900 6.27300 1.000 H73 H -0.02600 -1.43100 3.85400 1.000 H74 H -0.68800 -1.98400 2.28200 1.000 H75 H 0.82700 -3.99800 6.36600 1.000 H76 H 2.17700 -2.41600 7.69200 1.000 H77 H -1.33300 -0.03600 8.43300 1.000 H78 H -2.68700 -1.61800 7.10700 1.000 H79 H 2.10400 -0.65500 9.12200 1.000