# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '97M' 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 11.07800 3.15100 0.25100 1.000 C1 C 3.84400 -1.53500 0.64200 1.000 C2 C 2.46200 -2.00200 0.18100 1.000 C3 C 9.66600 2.81900 -0.23500 1.000 C4 C 4.87000 -2.58200 0.29200 1.000 C5 C 1.42000 -0.93900 0.53600 1.000 C6 C -7.14300 0.06500 -0.38500 1.000 C7 C 9.36600 1.34400 0.04300 1.000 C8 C 5.94500 -2.24800 -0.37700 1.000 C9 C 0.03800 -1.40600 0.07500 1.000 C10 C 7.95400 1.01100 -0.44300 1.000 C11 C 6.24100 -0.79600 -0.65100 1.000 C12 C -1.00400 -0.34300 0.43100 1.000 C13 C 7.65300 -0.46300 -0.16500 1.000 C14 C -2.38600 -0.80900 -0.03000 1.000 C15 C -3.42800 0.25400 0.32500 1.000 C16 C -9.56700 0.60600 -0.66000 1.000 C17 C -8.24100 1.08100 -0.06200 1.000 O18 O -4.91400 -1.27400 -0.68000 1.000 C19 C -4.78900 -0.20600 -0.12900 1.000 O20 O -5.86400 0.57200 0.07900 1.000 O21 O -8.37400 1.20400 1.35500 1.000 O22 O -10.56600 1.60900 -0.46000 1.000 H23 H 11.14800 2.96200 1.32200 1.000 H24 H 11.80000 2.52800 -0.27600 1.000 H25 H 11.29200 4.20200 0.05300 1.000 H26 H 4.09600 -0.59900 0.14500 1.000 H27 H 3.83500 -1.38200 1.72100 1.000 H28 H 2.47100 -2.15500 -0.89800 1.000 H29 H 2.21000 -2.93800 0.67900 1.000 H30 H 8.94400 3.44200 0.29200 1.000 H31 H 9.59600 3.00800 -1.30600 1.000 H32 H 4.71900 -3.60800 0.59400 1.000 H33 H 1.41100 -0.78600 1.61600 1.000 H34 H 1.67200 -0.00300 0.03900 1.000 H35 H -7.36300 -0.87800 0.11500 1.000 H36 H -7.10200 -0.09500 -1.46200 1.000 H37 H 10.08800 0.72100 -0.48400 1.000 H38 H 9.43600 1.15500 1.11400 1.000 H39 H 6.61900 -3.01300 -0.73400 1.000 H40 H 0.04700 -1.55900 -1.00400 1.000 H41 H -0.21400 -2.34200 0.57300 1.000 H42 H 7.23200 1.63500 0.08400 1.000 H43 H 7.88400 1.20100 -1.51400 1.000 H44 H 6.17100 -0.60600 -1.72200 1.000 H45 H 5.51900 -0.17200 -0.12400 1.000 H46 H -1.01300 -0.18900 1.51000 1.000 H47 H -0.75200 0.59400 -0.06700 1.000 H48 H 8.37500 -1.08700 -0.69200 1.000 H49 H 7.72300 -0.65200 0.90600 1.000 H50 H -2.37700 -0.96200 -1.10900 1.000 H51 H -2.63800 -1.74500 0.46800 1.000 H52 H -3.43700 0.40700 1.40400 1.000 H53 H -3.17600 1.19000 -0.17300 1.000 H54 H -9.44100 0.42700 -1.72800 1.000 H55 H -9.87600 -0.31700 -0.17100 1.000 H56 H -7.97700 2.04900 -0.48800 1.000 H57 H -8.60900 0.37900 1.80100 1.000 H58 H -11.43400 1.37500 -0.81500 1.000