# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '04K' 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 -0.15100 -0.69400 -0.73000 1.000 C1 C -0.01000 -1.58200 0.24700 1.000 N2 N 1.17700 -1.99000 0.67100 1.000 C3 C 0.90000 -0.16800 -1.33400 1.000 C4 C 2.17500 -0.56700 -0.92100 1.000 C5 C 2.28700 -1.51400 0.12100 1.000 N6 N 3.52900 -1.91800 0.54000 1.000 C7 C 4.64500 -1.42600 -0.02600 1.000 C8 C 4.59100 -0.47500 -1.07400 1.000 C9 C 3.38800 -0.03500 -1.53500 1.000 O10 O 5.74300 -0.00100 -1.62000 1.000 C11 C 6.54000 0.78300 -0.84700 1.000 N12 N -1.14400 -2.10000 0.84500 1.000 C13 C -2.40600 -1.60100 0.50100 1.000 C14 C -3.49100 -2.46200 0.40700 1.000 C15 C -4.73600 -1.97000 0.06900 1.000 C16 C -4.90300 -0.61500 -0.17800 1.000 C17 C -3.81900 0.24600 -0.08600 1.000 C18 C -2.57500 -0.24400 0.25900 1.000 O19 O -6.12900 -0.13100 -0.51200 1.000 C20 C -6.22800 1.27500 -0.75300 1.000 C21 C -7.67200 1.63000 -1.11300 1.000 N22 N -8.54200 1.37100 0.04200 1.000 C23 C -8.22500 2.27900 1.15400 1.000 C24 C -8.82500 1.72700 2.44900 1.000 C25 C -9.95800 1.47300 -0.33300 1.000 C26 C -10.37200 0.22000 -1.10700 1.000 O27 O 5.73100 -1.80800 0.37300 1.000 C28 C 3.64100 -2.89900 1.62200 1.000 C29 C 7.77400 1.20100 -1.32300 1.000 C30 C 8.58300 1.99800 -0.53700 1.000 C31 C 8.16300 2.38000 0.72600 1.000 C32 C 6.93100 1.96400 1.20200 1.000 C33 C 6.11700 1.17100 0.41600 1.000 F34 F 8.95500 3.15900 1.49300 1.000 H35 H 0.77700 0.55400 -2.12900 1.000 H36 H 3.33300 0.68900 -2.33400 1.000 H37 H -1.06500 -2.80900 1.50200 1.000 H38 H -3.36200 -3.51700 0.59900 1.000 H39 H -5.58000 -2.63900 -0.00400 1.000 H40 H -3.94900 1.30100 -0.27900 1.000 H41 H -1.73200 0.42700 0.33500 1.000 H42 H -5.93200 1.81900 0.14400 1.000 H43 H -5.57000 1.54900 -1.57800 1.000 H44 H -7.73000 2.68400 -1.38300 1.000 H45 H -7.99700 1.02000 -1.95600 1.000 H46 H -7.14300 2.35900 1.26000 1.000 H47 H -8.64400 3.26400 0.94900 1.000 H48 H -9.89700 1.58000 2.31900 1.000 H49 H -8.35400 0.77400 2.69000 1.000 H50 H -8.65000 2.43500 3.26000 1.000 H51 H -10.56700 1.56100 0.56700 1.000 H52 H -10.10600 2.35300 -0.95900 1.000 H53 H -9.71300 0.08900 -1.96500 1.000 H54 H -10.29800 -0.65100 -0.45600 1.000 H55 H -11.40000 0.32900 -1.45200 1.000 H56 H 3.65400 -3.90400 1.20000 1.000 H57 H 4.56400 -2.72600 2.17500 1.000 H58 H 2.78900 -2.79800 2.29400 1.000 H59 H 8.10300 0.90200 -2.30800 1.000 H60 H 9.54400 2.32300 -0.90700 1.000 H61 H 6.60500 2.26200 2.18800 1.000 H62 H 5.15500 0.85100 0.78600 1.000