# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CCK' 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 1.14800 -3.68400 1.04800 1.000 C1 C -0.11200 -3.58600 0.66600 1.000 C2 C -0.60100 -2.37800 0.18000 1.000 N3 N 0.20000 -1.32300 0.10200 1.000 C4 C 1.46500 -1.42500 0.48800 1.000 C5 C 1.94800 -2.63500 0.97200 1.000 N6 N -1.93300 -2.27500 -0.22500 1.000 N7 N 2.31200 -0.31600 0.40700 1.000 C8 C -2.67000 -1.11600 -0.25600 1.000 C9 C -3.95100 -1.46400 -0.72500 1.000 C10 C -3.92200 -2.90400 -0.96800 1.000 N11 N -2.73000 -3.33500 -0.67000 1.000 C12 C 3.65100 -0.31400 0.67900 1.000 C13 C 4.11800 0.93600 0.48800 1.000 C14 C 3.03000 1.73700 0.08300 1.000 C15 C 1.94000 0.94600 0.03700 1.000 C16 C -4.93400 -0.47700 -0.86400 1.000 C17 C -4.64700 0.81700 -0.54500 1.000 C18 C -3.37900 1.16900 -0.08100 1.000 C19 C -2.39300 0.20900 0.06500 1.000 N20 N -3.10200 2.49900 0.24000 1.000 C21 C -4.14200 3.52000 0.08800 1.000 C22 C -5.01400 3.55200 1.34500 1.000 C23 C -3.48700 4.88900 -0.11300 1.000 C24 C 5.54100 1.39400 0.67300 1.000 C25 C 6.29300 1.23500 -0.62300 1.000 O26 O 5.73000 0.79500 -1.59800 1.000 O27 O 7.58800 1.58200 -0.69500 1.000 H28 H -0.76300 -4.44500 0.72900 1.000 H29 H 2.97800 -2.71800 1.28500 1.000 H30 H -4.74200 -3.50300 -1.33400 1.000 H31 H 4.23400 -1.16700 0.99400 1.000 H32 H 3.06600 2.79100 -0.15100 1.000 H33 H 0.94400 1.25600 -0.24300 1.000 H34 H -5.91800 -0.74000 -1.22400 1.000 H35 H -5.40700 1.57600 -0.65400 1.000 H36 H -1.41400 0.48700 0.42500 1.000 H37 H -2.22200 2.74800 0.56300 1.000 H38 H -4.76100 3.28300 -0.77700 1.000 H39 H -4.39500 3.78900 2.21100 1.000 H40 H -5.78700 4.31200 1.23200 1.000 H41 H -5.48000 2.57700 1.48800 1.000 H42 H -2.86700 4.86600 -1.00900 1.000 H43 H -4.26100 5.64800 -0.22600 1.000 H44 H -2.86900 5.12600 0.75200 1.000 H45 H 5.55000 2.44200 0.97200 1.000 H46 H 6.01900 0.79200 1.44600 1.000 H47 H 8.02800 1.46200 -1.54800 1.000