# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'J77' 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 2.63300 -0.44900 -8.64500 1.000 C1 C 1.79300 -0.13500 -7.43400 1.000 C2 C 2.03500 1.01900 -6.70200 1.000 C3 C 1.23800 1.26800 -5.59600 1.000 C4 C 0.24300 0.34100 -5.28700 1.000 N5 N 0.09100 -0.73500 -6.04300 1.000 N6 N 0.83000 -0.95700 -7.06900 1.000 N7 N -0.58300 0.54500 -4.18700 1.000 C8 C -1.50800 -0.59200 -4.13900 1.000 C9 C -2.45100 -0.44200 -2.94300 1.000 C10 C -1.62800 -0.43600 -1.65100 1.000 C11 C -0.57300 0.67100 -1.73900 1.000 C12 C 0.27000 0.46300 -2.99700 1.000 C13 C -2.55000 -0.17200 -0.45900 1.000 C14 C -1.72600 -0.16600 0.83000 1.000 O15 O -2.58700 0.07900 1.94400 1.000 C16 C -1.80500 0.07200 3.05300 1.000 C17 C -2.37300 0.28700 4.30300 1.000 C18 C -1.58300 0.28200 5.43100 1.000 C19 C -0.20800 0.05900 5.31700 1.000 C20 C 0.36000 -0.15000 4.05700 1.000 C21 C -0.43700 -0.14800 2.93500 1.000 C22 C 0.64100 0.05200 6.52200 1.000 O23 O 0.14600 0.24000 7.61600 1.000 O24 O 1.96700 -0.16200 6.41100 1.000 C25 C 2.80400 -0.16900 7.59700 1.000 C26 C 4.25600 -0.43300 7.19500 1.000 H27 H 2.96900 0.47900 -9.10500 1.000 H28 H 3.49900 -1.03900 -8.34300 1.000 H29 H 2.03900 -1.01500 -9.36200 1.000 H30 H 2.82000 1.70300 -6.98700 1.000 H31 H 1.38400 2.15200 -4.99200 1.000 H32 H -0.94100 -1.51700 -4.03900 1.000 H33 H -2.09200 -0.62300 -5.05900 1.000 H34 H -3.15100 -1.27700 -2.92500 1.000 H35 H -3.00100 0.49400 -3.02900 1.000 H36 H -1.13700 -1.40100 -1.52700 1.000 H37 H -1.06700 1.64100 -1.78800 1.000 H38 H 0.06800 0.63200 -0.85900 1.000 H39 H 0.74400 -0.51700 -2.95800 1.000 H40 H 1.03900 1.23400 -3.04900 1.000 H41 H -3.30600 -0.95600 -0.40300 1.000 H42 H -3.03700 0.79400 -0.58300 1.000 H43 H -0.97000 0.61600 0.77500 1.000 H44 H -1.23900 -1.13400 0.95400 1.000 H45 H -3.43600 0.45900 4.39000 1.000 H46 H -2.02600 0.44900 6.40200 1.000 H47 H 1.42200 -0.32200 3.96500 1.000 H48 H -0.00000 -0.31500 1.96200 1.000 H49 H 2.46600 -0.95300 8.27500 1.000 H50 H 2.73500 0.79700 8.09600 1.000 H51 H 4.88400 -0.43800 8.08600 1.000 H52 H 4.32500 -1.39900 6.69600 1.000 H53 H 4.59400 0.35000 6.51700 1.000