# 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 -1.03100 0.02800 0.31500 1.000 C1 C 1.11500 -0.45700 0.51000 1.000 C2 C -0.54100 -3.20500 -0.23300 1.000 C3 C -2.49000 -0.13400 0.32100 1.000 C4 C 0.92400 0.94900 0.11100 1.000 C5 C -0.46300 -2.34700 1.00300 1.000 C6 C -3.37800 1.03300 -0.02700 1.000 C7 C 1.91600 1.88900 -0.12800 1.000 C8 C 3.64700 0.27700 -0.75300 1.000 C9 C 4.26200 2.31200 0.42200 1.000 C10 C -7.58100 1.30500 -0.21400 1.000 C11 C 4.95900 -0.09900 -0.77400 1.000 C12 C 5.57100 1.92400 0.39400 1.000 C13 C -4.84400 0.60000 0.05500 1.000 C14 C 3.27700 1.49200 -0.15300 1.000 C15 C 5.93000 0.71900 -0.20300 1.000 N16 N -0.40700 1.13900 0.02300 1.000 N17 N -0.13000 -0.97200 0.62200 1.000 O18 O -2.98000 -1.20600 0.60600 1.000 O19 O 2.17100 -1.03300 0.69900 1.000 O20 O -0.33900 -2.71900 -1.32000 1.000 O21 O 7.23200 0.33900 -0.22700 1.000 S22 S -5.91300 2.00400 -0.36400 1.000 H23 H -1.42600 -2.35900 1.51500 1.000 H24 H 0.30700 -2.73700 1.66800 1.000 H25 H -3.20100 1.84700 0.67600 1.000 H26 H -3.15500 1.37000 -1.03900 1.000 H27 H 1.65200 2.92300 -0.29400 1.000 H28 H 2.89500 -0.35600 -1.20000 1.000 H29 H 3.98500 3.24800 0.88500 1.000 H30 H -7.73500 0.95000 0.80500 1.000 H31 H -8.31800 2.07300 -0.44700 1.000 H32 H -7.69000 0.47300 -0.90900 1.000 H33 H 5.24400 -1.03300 -1.23500 1.000 H34 H 6.32900 2.55400 0.83500 1.000 H35 H -5.02100 -0.21500 -0.64700 1.000 H36 H -5.06700 0.26200 1.06700 1.000 O37 O -0.83600 -4.51100 -0.12600 1.000 H38 H -0.87400 -5.02100 -0.94700 1.000