# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0N1' 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 5.30400 1.83600 -0.77100 1.000 C1 C 0.85600 1.54300 2.30700 1.000 C2 C -0.06900 0.96400 3.15400 1.000 C3 C -0.31800 -0.39100 3.10100 1.000 C4 C 1.55200 0.74700 1.39600 1.000 C5 C 1.32200 -0.62600 1.35400 1.000 C6 C 0.36900 -1.20400 2.18700 1.000 C7 C 2.51300 1.34400 0.43900 1.000 C8 C 5.72400 3.02800 -1.33200 1.000 C9 C 4.66300 -0.04800 -2.24300 1.000 C10 C 3.54400 -1.00200 -2.56800 1.000 C11 C -5.20300 1.30600 -0.56700 1.000 C12 C -6.79000 2.66100 -1.94800 1.000 C13 C -7.55200 2.03900 -3.12000 1.000 C14 C -7.63500 3.77200 -1.32200 1.000 C15 C 0.74900 -4.07000 -1.21600 1.000 C16 C -7.55300 0.92700 -0.31200 1.000 C17 C -6.50700 1.60200 -0.91400 1.000 C18 C -5.98800 -0.34900 0.97500 1.000 C19 C 0.09000 -2.64600 2.15600 1.000 C20 C -1.12700 -2.50300 -0.71800 1.000 C21 C -1.62200 -1.39800 0.21600 1.000 C22 C -3.52100 0.00600 0.75500 1.000 C23 C -4.94300 0.33000 0.37700 1.000 O24 O -0.36300 -3.15400 3.17600 1.000 N25 N 0.22800 -3.45700 1.09100 1.000 C26 C 0.27400 -2.94700 -0.28500 1.000 N27 N -3.01000 -1.05500 -0.12300 1.000 C28 C -7.29400 -0.04400 0.63700 1.000 O29 O -1.07700 -2.00800 -2.05700 1.000 O30 O 2.15800 -3.95000 -1.42100 1.000 C31 C 2.52100 -3.22000 -2.59400 1.000 C32 C 3.64800 -2.27400 -2.26900 1.000 C33 C 4.13500 1.09300 -1.36700 1.000 C34 C 6.79600 3.70900 -0.78600 1.000 C35 C 7.44800 3.19900 0.32100 1.000 C36 C 7.02700 2.00800 0.88200 1.000 C37 C 5.95900 1.32400 0.33300 1.000 N38 N 3.30600 0.52700 -0.29300 1.000 O39 O 2.57500 2.55300 0.31500 1.000 C40 C -0.81700 1.82300 4.14100 1.000 H41 H 1.02600 2.60900 2.34200 1.000 H42 H -1.03700 -0.83500 3.77400 1.000 H43 H 1.89600 -1.23900 0.67800 1.000 H44 H 5.21500 3.42600 -2.19700 1.000 H45 H 5.44700 -0.57900 -1.69800 1.000 H46 H 5.07200 0.36500 -3.16500 1.000 H47 H 2.64800 -0.63800 -3.04900 1.000 H48 H -4.38600 1.83300 -1.03700 1.000 H49 H -5.84900 3.07900 -2.30700 1.000 H50 H -7.75600 2.80500 -3.86800 1.000 H51 H -6.94900 1.24700 -3.56600 1.000 H52 H -8.49200 1.62100 -2.76100 1.000 H53 H -8.57600 3.35500 -0.96400 1.000 H54 H -7.09300 4.21500 -0.48800 1.000 H55 H -7.84000 4.53800 -2.07100 1.000 H56 H 0.53100 -5.03300 -0.76000 1.000 H57 H 0.23200 -3.98800 -2.17200 1.000 H58 H -8.57200 1.15900 -0.58300 1.000 H59 H -5.78600 -1.11200 1.71200 1.000 H60 H -1.80800 -3.35200 -0.67000 1.000 H61 H -1.57700 -1.74600 1.24800 1.000 H62 H -0.99200 -0.51600 0.10200 1.000 H63 H -2.90400 0.89700 0.64500 1.000 H64 H -3.48800 -0.33300 1.79100 1.000 H65 H 0.30500 -4.42400 1.24400 1.000 H66 H 0.96200 -2.11100 -0.37300 1.000 H67 H -3.60300 -1.87100 -0.08800 1.000 H68 H -8.11100 -0.57500 1.10300 1.000 H69 H -0.48800 -1.25000 -2.17500 1.000 H70 H 2.84500 -3.91700 -3.36800 1.000 H71 H 1.66300 -2.65200 -2.95400 1.000 H72 H 4.54000 -2.64800 -1.78700 1.000 H73 H 3.53700 1.77600 -1.96900 1.000 H74 H 7.12400 4.64000 -1.22500 1.000 H75 H 8.28600 3.73100 0.74700 1.000 H76 H 7.53700 1.60900 1.74700 1.000 H77 H 5.63100 0.39300 0.77200 1.000 H78 H 3.34500 -0.42600 -0.10400 1.000 H79 H -1.73500 2.18900 3.68200 1.000 H80 H -1.06200 1.23200 5.02400 1.000 H81 H -0.19300 2.66800 4.43200 1.000