# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '98D' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy N0 N -0.84400 -0.89400 -0.22400 1.000 C1 C -0.02200 -1.92100 -0.35900 1.000 C2 C 1.80900 -0.35200 -0.24200 1.000 C3 C 4.02000 0.72200 -0.19000 1.000 C4 C 7.64600 1.35200 -0.22500 1.000 C5 C 8.05000 0.33300 0.84200 1.000 C6 C 4.30800 3.08300 0.05800 1.000 C7 C 5.49600 -2.55700 0.83600 1.000 C8 C -10.77400 -0.54800 -0.28400 1.000 N9 N -9.33900 -0.26300 -0.41700 1.000 C10 C -9.01100 1.06000 0.13100 1.000 C11 C -7.52600 1.35100 -0.09900 1.000 N12 N -6.72000 0.30400 0.54300 1.000 C13 C -5.35300 0.57500 0.41500 1.000 C14 C -4.41800 -0.29900 0.95700 1.000 C15 C -3.07000 -0.03100 0.83000 1.000 C16 C -2.64800 1.11100 0.16300 1.000 N17 N -1.27900 1.38200 0.03500 1.000 C18 C -0.38000 0.34400 -0.10300 1.000 C19 C 1.35000 -1.68100 -0.37300 1.000 N20 N 3.18500 -0.38800 -0.28600 1.000 N21 N 5.33300 0.56200 -0.24400 1.000 C22 C 6.15900 1.58700 -0.15700 1.000 O23 O 8.33400 2.58200 0.00600 1.000 C24 C 5.67900 2.87300 -0.00400 1.000 C25 C 3.46700 1.99000 -0.04200 1.000 N26 N 3.61500 -1.70900 -0.44200 1.000 C27 C 5.01300 -2.13900 -0.52900 1.000 C28 C 6.01300 -3.74800 1.01200 1.000 C29 C 2.54300 -2.52700 -0.49900 1.000 O30 O 2.56200 -3.73600 -0.63100 1.000 N31 N 0.91800 0.61900 -0.11100 1.000 C32 C -3.58200 1.98400 -0.37900 1.000 C33 C -4.93100 1.71400 -0.25800 1.000 C34 C -7.04800 -1.02000 -0.00500 1.000 C35 C -8.53300 -1.31100 0.22400 1.000 H36 H -0.40600 -2.92600 -0.45700 1.000 H37 H 7.90900 0.96900 -1.21200 1.000 H38 H 7.52500 -0.60600 0.66500 1.000 H39 H 9.12600 0.16200 0.79300 1.000 H40 H 7.78800 0.71600 1.82800 1.000 H41 H 3.90800 4.08000 0.17300 1.000 H42 H 5.41700 -1.87400 1.66900 1.000 H43 H -11.34600 0.20600 -0.82500 1.000 H44 H -10.99000 -1.53300 -0.69700 1.000 H45 H -11.05200 -0.52700 0.77000 1.000 H46 H -9.61200 1.82000 -0.36900 1.000 H47 H -9.22300 1.07400 1.20000 1.000 H48 H -7.32000 1.36500 -1.16900 1.000 H49 H -7.27400 2.32000 0.33200 1.000 H50 H -4.74700 -1.18600 1.47600 1.000 H51 H -2.34300 -0.71000 1.25100 1.000 H52 H -0.96400 2.29900 0.04400 1.000 H53 H 8.14800 2.98100 0.86700 1.000 H54 H 6.36300 3.70500 0.07100 1.000 H55 H 2.39500 2.11800 0.00200 1.000 H56 H 5.62500 -1.31500 -0.89500 1.000 H57 H 5.09200 -2.98200 -1.21600 1.000 H58 H 6.09200 -4.43100 0.17900 1.000 H59 H 6.35900 -4.04700 1.99000 1.000 H60 H -3.25400 2.87200 -0.89800 1.000 H61 H -5.65700 2.39000 -0.68300 1.000 H62 H -6.83600 -1.03300 -1.07500 1.000 H63 H -6.44600 -1.78000 0.49400 1.000 H64 H -8.73900 -1.32400 1.29400 1.000 H65 H -8.78500 -2.27900 -0.20700 1.000