# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '939' 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 0.42000 0.82200 0.93500 1.000 C1 C 0.84600 -0.17200 0.16800 1.000 N2 N 2.12700 -0.32200 -0.12900 1.000 C3 C 3.03700 0.53300 0.34100 1.000 C4 C 2.61500 1.59300 1.15300 1.000 C5 C 1.26700 1.70900 1.43600 1.000 N6 N -0.07300 -1.07700 -0.33600 1.000 C7 C 4.46600 0.36500 0.01000 1.000 N8 N 4.98600 -0.56900 -0.85400 1.000 C9 C 6.32400 -0.42600 -0.90900 1.000 C10 C 6.68300 0.61100 -0.07300 1.000 C11 C 5.48900 1.11200 0.50200 1.000 C12 C 8.04900 1.10700 0.17000 1.000 N13 N 9.09600 0.53400 -0.45500 1.000 O14 O 8.23100 2.03500 0.93600 1.000 C15 C -1.44300 -0.87100 -0.13200 1.000 C16 C -2.30000 -1.96100 0.00700 1.000 C17 C -3.65400 -1.75500 0.20900 1.000 C18 C -4.15800 -0.46900 0.27300 1.000 C19 C -3.30700 0.62000 0.13600 1.000 C20 C -1.94800 0.41900 -0.06100 1.000 O21 O -1.80600 -3.22700 -0.05700 1.000 C22 C -2.74100 -4.29700 0.09300 1.000 F23 F -3.70600 -4.21800 -0.91800 1.000 F24 F -2.06900 -5.52100 0.00200 1.000 F25 F -3.36500 -4.19900 1.34100 1.000 C26 C 4.20800 -1.56300 -1.59700 1.000 N27 N -3.82000 1.92000 0.20100 1.000 C28 C -5.27300 1.90300 0.41900 1.000 C29 C -5.78100 3.34000 0.56300 1.000 N30 N -5.44200 4.10100 -0.64700 1.000 C31 C -3.98900 4.11700 -0.86500 1.000 C32 C -3.48100 2.68100 -1.01000 1.000 C33 C -5.98000 5.46600 -0.57900 1.000 H34 H 0.90700 2.51400 2.05900 1.000 H35 H 0.23200 -1.85400 -0.83000 1.000 H36 H 3.32600 2.30200 1.55000 1.000 H37 H 5.40800 1.93100 1.20200 1.000 H38 H 6.99900 -1.02200 -1.50400 1.000 H39 H 3.78900 -1.10200 -2.49100 1.000 H40 H 4.85700 -2.39100 -1.88500 1.000 H41 H 3.40100 -1.93700 -0.96800 1.000 H42 H 8.95000 -0.20600 -1.06600 1.000 H43 H 9.99500 0.86100 -0.29500 1.000 H44 H -1.28500 1.26500 -0.16400 1.000 H45 H -4.31800 -2.60000 0.31600 1.000 H46 H -5.21500 -0.31100 0.43000 1.000 H47 H -5.76300 1.42800 -0.43100 1.000 H48 H -5.49800 1.34500 1.32800 1.000 H49 H -2.39900 2.69000 -1.14300 1.000 H50 H -3.95000 2.21500 -1.87600 1.000 H51 H -6.86300 3.33100 0.69600 1.000 H52 H -5.31200 3.80600 1.43000 1.000 H53 H -3.76400 4.67600 -1.77400 1.000 H54 H -3.49900 4.59300 -0.01500 1.000 H55 H -5.56000 5.97900 0.28600 1.000 H56 H -5.71500 6.00700 -1.48700 1.000 H57 H -7.06500 5.42400 -0.48500 1.000