# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CM3' 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 0.12500 -1.44400 2.26300 1.000 C1 C -0.96000 -0.69100 1.48400 1.000 O2 O -0.93700 0.67600 1.86400 1.000 C3 C -1.17000 0.80600 3.19300 1.000 C4 C -1.71000 2.01900 3.62300 1.000 C5 C -1.96700 2.24100 4.95900 1.000 C6 C -1.68900 1.25200 5.89100 1.000 O7 O -1.93700 1.46700 7.21100 1.000 C8 C -1.15800 0.04300 5.46800 1.000 F9 F -0.88900 -0.92300 6.37200 1.000 C10 C -0.90200 -0.17900 4.12300 1.000 C11 C -0.33500 -1.52000 3.72300 1.000 C12 C -1.41400 -2.59600 3.86500 1.000 C13 C 1.43200 -0.69800 2.17500 1.000 C14 C 1.68000 0.35900 3.03000 1.000 C15 C 2.87900 1.04200 2.95600 1.000 C16 C 3.82900 0.67100 2.01500 1.000 O17 O 5.00700 1.34500 1.93600 1.000 C18 C 3.57500 -0.38600 1.15500 1.000 C19 C 2.37700 -1.06800 1.23700 1.000 C20 C -0.69300 -0.80700 0.00500 1.000 C21 C 0.08700 0.13900 -0.63100 1.000 C22 C 0.33800 0.03100 -1.98500 1.000 C23 C -0.20200 -1.02200 -2.70800 1.000 C24 C -0.98900 -1.96800 -2.06700 1.000 C25 C -1.23300 -1.85800 -0.71200 1.000 O26 O 0.03800 -1.12700 -4.04100 1.000 C27 C 0.86800 -0.02000 -4.40000 1.000 C28 C 1.17800 -0.07900 -5.89700 1.000 N29 N -0.07500 -0.01800 -6.65900 1.000 C30 C -0.65400 1.30600 -6.41400 1.000 C31 C -1.96700 1.44800 -7.18600 1.000 C32 C -1.68700 1.31600 -8.68600 1.000 C33 C -0.97000 -0.01300 -8.94200 1.000 C34 C 0.29100 -0.07900 -8.07800 1.000 H35 H 0.24300 -2.45000 1.85800 1.000 H36 H -1.93600 -1.11700 1.71400 1.000 H37 H -1.92800 2.79300 2.90200 1.000 H38 H -2.38400 3.18400 5.28000 1.000 H39 H -2.84300 1.17200 7.37700 1.000 H40 H 0.51200 -1.76700 4.36200 1.000 H41 H -1.74100 -2.64800 4.90400 1.000 H42 H -2.26300 -2.34400 3.22900 1.000 H43 H -1.00700 -3.56100 3.56300 1.000 H44 H 0.94000 0.64700 3.76200 1.000 H45 H 3.07500 1.86500 3.62700 1.000 H46 H 4.87400 2.06900 1.31000 1.000 H47 H 4.31300 -0.67600 0.42200 1.000 H48 H 2.17800 -1.89200 0.56700 1.000 H49 H 0.50700 0.95900 -0.06800 1.000 H50 H 0.95100 0.76800 -2.48200 1.000 H51 H -1.41100 -2.78900 -2.62800 1.000 H52 H -1.84600 -2.59400 -0.21300 1.000 H53 H 0.34900 0.91000 -4.17200 1.000 H54 H 1.79800 -0.06500 -3.83400 1.000 H55 H 1.81100 0.76400 -6.17000 1.000 H56 H 1.69700 -1.01100 -6.12400 1.000 H57 H -0.84500 1.42600 -5.34800 1.000 H58 H 0.04500 2.07400 -6.74500 1.000 H59 H -2.40500 2.42600 -6.98300 1.000 H60 H -2.65900 0.66600 -6.87400 1.000 H61 H -1.05400 2.14000 -9.01400 1.000 H62 H -2.62700 1.33500 -9.23600 1.000 H63 H -0.69400 -0.08100 -9.99400 1.000 H64 H -1.63200 -0.83900 -8.68300 1.000 H65 H 0.94000 0.76100 -8.32100 1.000 H66 H 0.81700 -1.01200 -8.27700 1.000