# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '979' 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 2.23800 -6.31700 1.65500 1.000 N1 N 1.86000 -5.80800 0.46500 1.000 C2 C 1.26400 -4.61200 0.61800 1.000 C3 C 1.04200 -3.94500 1.81900 1.000 C4 C 1.47900 -4.57200 2.99500 1.000 N5 N 2.08800 -5.78500 2.88900 1.000 O6 O 0.78100 -3.87000 -0.42000 1.000 C7 C 0.25500 -2.73700 0.11500 1.000 C8 C 0.39000 -2.73400 1.48500 1.000 N9 N 1.30100 -3.98700 4.24200 1.000 C10 C 1.72900 -4.58600 5.47700 1.000 C11 C 1.37900 -3.72400 6.67900 1.000 N12 N 1.83100 -4.32000 7.93500 1.000 C13 C -0.07200 -1.66300 2.32100 1.000 C14 C -1.36800 -1.68900 2.83700 1.000 C15 C -1.81600 -0.64800 3.65100 1.000 C16 C -0.96900 0.41900 3.94800 1.000 C17 C 0.32700 0.44600 3.43300 1.000 C18 C 0.77500 -0.59500 2.61900 1.000 C19 C -0.30500 -1.82500 -0.84600 1.000 C20 C 0.49300 -0.83400 -1.42200 1.000 C21 C -0.05100 0.05000 -2.35400 1.000 C22 C -1.39500 -0.05600 -2.71400 1.000 C23 C -2.19500 -1.04500 -2.14000 1.000 C24 C -1.65100 -1.92800 -1.20800 1.000 C25 C 1.53500 -3.43500 9.06900 1.000 C26 C 1.21900 -5.64000 8.13700 1.000 C27 C 1.99900 -4.06500 10.38400 1.000 C28 C 1.68500 -6.25700 9.45700 1.000 N29 N 1.39600 -5.38300 10.59600 1.000 H30 H 2.72900 -7.28300 1.61700 1.000 H31 H 0.84000 -3.08200 4.27800 1.000 H32 H 2.81300 -4.72000 5.41100 1.000 H33 H 1.26100 -5.57300 5.54400 1.000 H34 H 0.29800 -3.57200 6.76000 1.000 H35 H 1.86300 -2.74700 6.59500 1.000 H36 H 1.78800 -0.56000 2.22500 1.000 H37 H 0.98700 1.27600 3.66600 1.000 H38 H -1.31800 1.22900 4.58100 1.000 H39 H -2.82500 -0.66900 4.05100 1.000 H40 H -2.04100 -2.51300 2.61300 1.000 H41 H 1.54200 -0.73900 -1.15200 1.000 H42 H 0.57200 0.82000 -2.79900 1.000 H43 H -1.81900 0.63200 -3.43900 1.000 H44 H -3.24100 -1.12700 -2.42100 1.000 H45 H -2.28800 -2.69400 -0.77100 1.000 H46 H 0.45900 -3.21800 9.12100 1.000 H47 H 2.05600 -2.47900 8.93500 1.000 H48 H 1.50800 -6.30800 7.31700 1.000 H49 H 3.09400 -4.14800 10.39900 1.000 H50 H 1.71700 -3.41000 11.21600 1.000 H51 H 1.17200 -7.21300 9.60800 1.000 H52 H 1.77200 -5.79700 11.44800 1.000 H53 H 0.12300 -5.56500 8.12800 1.000 H54 H 2.76000 -6.47400 9.41700 1.000