# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '2CV' 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 8.92700 0.99400 -0.38100 1.000 C1 C 7.55000 1.29600 0.21400 1.000 C2 C 6.53200 0.28400 -0.31600 1.000 C3 C 5.15600 0.58600 0.28000 1.000 C4 C 4.13800 -0.42600 -0.25100 1.000 C5 C 2.76100 -0.12400 0.34500 1.000 C6 C 1.74300 -1.13600 -0.18600 1.000 C7 C 0.38700 -0.83900 0.40100 1.000 N8 N -0.67200 -1.60600 0.07300 1.000 O9 O 0.24900 0.09100 1.16700 1.000 C10 C -0.50400 -2.72900 -0.85200 1.000 C11 C -1.99000 -1.31700 0.64300 1.000 C12 C -2.73800 -0.34300 -0.26900 1.000 C13 C -4.06200 0.05600 0.38600 1.000 C14 C -4.81000 1.02900 -0.52700 1.000 C15 C -6.13300 1.42800 0.12900 1.000 C16 C -6.88100 2.40200 -0.78400 1.000 O17 O -8.16700 2.68400 -0.22800 1.000 O18 O -2.99900 -0.97300 -1.52500 1.000 O19 O -3.80000 0.68500 1.64200 1.000 O20 O -5.07100 0.40000 -1.78300 1.000 O21 O -5.87200 2.05800 1.38500 1.000 C22 C -0.15700 -3.99300 -0.06400 1.000 O23 O -1.26000 -4.35200 0.77100 1.000 C24 C 9.94500 2.00600 0.14900 1.000 C25 C 11.32100 1.70400 -0.44600 1.000 H26 H 9.23300 -0.01300 -0.09600 1.000 H27 H 8.87600 1.06500 -1.46800 1.000 H28 H 7.60100 1.22500 1.30100 1.000 H29 H 7.24400 2.30200 -0.07000 1.000 H30 H 9.63900 3.01200 -0.13500 1.000 H31 H 9.99500 1.93500 1.23600 1.000 H32 H 6.48200 0.35500 -1.40200 1.000 H33 H 6.83900 -0.72300 -0.03100 1.000 H34 H 5.20600 0.51500 1.36600 1.000 H35 H 4.84900 1.59200 -0.00500 1.000 H36 H 4.08700 -0.35500 -1.33700 1.000 H37 H 4.44400 -1.43300 0.03400 1.000 H38 H 2.81200 -0.19500 1.43100 1.000 H39 H 2.45500 0.88200 0.06000 1.000 H40 H 1.69300 -1.06500 -1.27200 1.000 H41 H 2.04900 -2.14300 0.09900 1.000 H42 H -1.43100 -2.88800 -1.40300 1.000 H43 H 0.30100 -2.50500 -1.55300 1.000 H44 H -2.55900 -2.24300 0.73100 1.000 H45 H -1.86900 -0.87000 1.63000 1.000 H46 H 0.05500 -4.80700 -0.75700 1.000 H47 H 0.72100 -3.80500 0.55500 1.000 H48 H -2.12800 0.54600 -0.42800 1.000 H49 H -4.67100 -0.83400 0.54500 1.000 H50 H -3.53700 -1.77300 -1.46000 1.000 H51 H -4.20000 1.91900 -0.68600 1.000 H52 H -3.26200 1.48500 1.57700 1.000 H53 H -6.74200 0.53800 0.28800 1.000 H54 H -5.60900 -0.40100 -1.71700 1.000 H55 H -6.31200 3.32800 -0.87200 1.000 H56 H -7.00200 1.95500 -1.77100 1.000 H57 H -5.33400 2.85800 1.31900 1.000 H58 H -8.69800 3.29600 -0.75500 1.000 H59 H -1.11000 -5.14700 1.30100 1.000 H60 H 11.62800 0.69700 -0.16200 1.000 H61 H 11.27100 1.77500 -1.53300 1.000 H62 H 12.04700 2.42500 -0.06800 1.000