# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CRK' 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 -1.09000 -0.16100 0.25000 1.000 C1 C 1.06400 -0.61300 0.42400 1.000 C2 C -0.53600 -3.34700 -0.47700 1.000 C3 C -2.54600 -0.35000 0.24300 1.000 C4 C 0.84600 0.80900 0.10300 1.000 C5 C -0.47800 -2.55800 0.80500 1.000 C6 C -3.45700 0.81600 -0.04100 1.000 C7 C 1.82000 1.78000 -0.07900 1.000 C8 C 3.58300 0.24000 -0.78900 1.000 C9 C 4.15600 2.21800 0.50000 1.000 C10 C -7.66300 1.01600 -0.22400 1.000 C11 C 4.90200 -0.10800 -0.82700 1.000 C12 C 5.47200 1.85800 0.45400 1.000 C13 C -4.91300 0.35000 0.01200 1.000 C14 C 3.18900 1.41200 -0.12300 1.000 C15 C 5.85600 0.69500 -0.20800 1.000 N16 N -0.48900 0.97800 0.02300 1.000 N17 N -0.17000 -1.15800 0.50300 1.000 O18 O -3.01600 -1.44600 0.46600 1.000 O19 O 2.13100 -1.17800 0.58300 1.000 O20 O 0.15200 -4.33000 -0.61300 1.000 O21 O 7.16500 0.34300 -0.25000 1.000 S22 S -6.01000 1.75500 -0.33000 1.000 H23 H -1.19400 -3.03400 -1.27400 1.000 H24 H -1.44000 -2.61800 1.31300 1.000 H25 H 0.29900 -2.97000 1.45000 1.000 H26 H -3.29600 1.59300 0.70600 1.000 H27 H -3.23900 1.21400 -1.03200 1.000 H28 H 1.53600 2.81600 -0.18800 1.000 H29 H 2.84500 -0.38200 -1.27300 1.000 H30 H 3.86000 3.12000 1.01400 1.000 H31 H -7.75500 0.22300 -0.96600 1.000 H32 H -7.81300 0.60100 0.77200 1.000 H33 H -8.41600 1.78100 -0.41600 1.000 H34 H 5.20700 -1.01000 -1.33900 1.000 H35 H 6.21700 2.47600 0.93200 1.000 H36 H -5.07400 -0.42600 -0.73600 1.000 H37 H -5.13200 -0.04800 1.00300 1.000