# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0KR' 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 2.64600 0.37800 0.35200 1.000 N1 N 2.57100 -1.07000 0.60500 1.000 C2 C 3.29800 -1.68000 -0.38700 1.000 N3 N 3.83100 -0.75700 -1.25200 1.000 C4 C 3.49700 0.49800 -0.89400 1.000 C5 C 3.31500 1.09300 1.52700 1.000 O6 O 3.81600 1.52200 -1.45900 1.000 C7 C 1.27000 0.94100 0.10500 1.000 C8 C 0.16000 0.13200 0.24000 1.000 C9 C -1.11100 0.65400 0.01300 1.000 C10 C -1.25500 1.99200 -0.35000 1.000 C11 C -0.13800 2.79200 -0.48200 1.000 C12 C 1.12200 2.27000 -0.25000 1.000 N13 N 3.46100 -2.96700 -0.49300 1.000 C14 C 4.65700 -1.09300 -2.41500 1.000 C15 C 4.69800 0.60000 1.95900 1.000 C16 C 3.47500 0.31000 2.83200 1.000 C17 C -2.30900 -0.21100 0.15600 1.000 C18 C -3.58500 0.30400 -0.07000 1.000 C19 C -4.67900 -0.55300 0.07800 1.000 C20 C -4.45300 -1.88100 0.44300 1.000 C21 C -2.17300 -1.55200 0.51200 1.000 C22 C -6.01100 -0.07600 -0.14200 1.000 N23 N -3.23000 -2.32700 0.64700 1.000 C24 C -7.10300 0.31500 -0.32200 1.000 C25 C -8.47300 0.80600 -0.54700 1.000 H26 H 3.11600 2.16200 1.60300 1.000 H27 H 0.27700 -0.90400 0.52100 1.000 H28 H -2.23800 2.40200 -0.52800 1.000 H29 H -0.24800 3.82900 -0.76300 1.000 H30 H 1.99300 2.89900 -0.35400 1.000 H31 H 3.98800 -3.33100 -1.22200 1.000 H32 H 4.77400 -2.17500 -2.47700 1.000 H33 H 4.17400 -0.72700 -3.32100 1.000 H34 H 5.63700 -0.62700 -2.31200 1.000 H35 H 5.13000 -0.23400 1.40600 1.000 H36 H 5.40800 1.34400 2.31900 1.000 H37 H 3.38000 0.86300 3.76600 1.000 H38 H 3.10300 -0.71500 2.85300 1.000 H39 H -3.72400 1.33700 -0.35200 1.000 H40 H -5.29200 -2.55200 0.56100 1.000 H41 H -1.18900 -1.95900 0.68900 1.000 H42 H -9.18100 -0.00700 -0.38400 1.000 H43 H -8.68600 1.61900 0.14600 1.000 H44 H -8.56500 1.16700 -1.57100 1.000 H45 H 2.10000 -1.50800 1.33200 1.000