# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JAR' 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 -4.28000 -3.23700 1.16200 1.000 C1 C -3.44200 -2.64000 0.03000 1.000 C2 C -3.67100 -3.44400 -1.25200 1.000 N3 N -3.83900 -1.24700 -0.19000 1.000 N4 N -5.11900 -0.80600 -0.54400 1.000 C5 C -5.11600 0.49400 -0.65700 1.000 C6 C -3.81800 0.95900 -0.37700 1.000 C7 C -3.18500 2.27800 -0.33500 1.000 O8 O -3.81800 3.29000 -0.57900 1.000 N9 N -1.87100 2.33100 -0.01400 1.000 C10 C -1.18600 1.19100 0.25400 1.000 N11 N -1.73200 0.01100 0.22200 1.000 C12 C -3.02900 -0.16300 -0.07800 1.000 C13 C 0.27500 1.29700 0.60600 1.000 C14 C 1.14800 1.24400 -0.66500 1.000 N15 N 2.33900 0.43700 -0.34400 1.000 C16 C 3.57200 1.19600 -0.59000 1.000 C17 C 4.76000 0.27400 -0.49000 1.000 C18 C 5.21700 -0.38800 -1.61400 1.000 C19 C 6.30600 -1.23500 -1.52100 1.000 C20 C 6.93700 -1.42000 -0.30500 1.000 C21 C 6.47900 -0.75700 0.81800 1.000 C22 C 5.39400 0.09400 0.72500 1.000 C23 C 2.25300 0.01200 1.06900 1.000 C24 C 0.73900 0.05100 1.40600 1.000 C25 C 0.51600 0.24200 2.90800 1.000 H26 H -4.11700 -2.66500 2.07600 1.000 H27 H -5.33500 -3.19800 0.89200 1.000 H28 H -3.98500 -4.27400 1.32600 1.000 H29 H -2.38600 -2.67900 0.30000 1.000 H30 H -4.72600 -3.40500 -1.52200 1.000 H31 H -3.07300 -3.01900 -2.05900 1.000 H32 H -3.37500 -4.48000 -1.08900 1.000 H33 H -5.96500 1.10800 -0.92100 1.000 H34 H -1.41800 3.18700 0.02300 1.000 H35 H 0.46900 2.21000 1.16900 1.000 H36 H 0.59200 0.77700 -1.47800 1.000 H37 H 1.44700 2.25200 -0.95200 1.000 H38 H 3.53600 1.63400 -1.58800 1.000 H39 H 3.66500 1.99000 0.15100 1.000 H40 H 4.72400 -0.24400 -2.56400 1.000 H41 H 6.66300 -1.75300 -2.39900 1.000 H42 H 7.78700 -2.08200 -0.23300 1.000 H43 H 6.97200 -0.90200 1.76800 1.000 H44 H 5.03700 0.61100 1.60300 1.000 H45 H 2.64200 -1.00000 1.18600 1.000 H46 H 2.79900 0.70500 1.70900 1.000 H47 H 0.23600 -0.84800 1.04900 1.000 H48 H 0.99200 1.16800 3.23100 1.000 H49 H -0.55300 0.29200 3.11300 1.000 H50 H 0.95100 -0.59800 3.44900 1.000