# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CNY' 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 1.82600 -0.99300 -0.07900 1.000 O1 O 2.72900 -0.26600 0.73100 1.000 C2 C 1.12700 -2.07800 0.75100 1.000 N3 N 0.58400 -1.53900 1.98500 1.000 C4 C 2.16300 -3.15800 1.12200 1.000 O5 O 1.51400 -4.22200 1.82100 1.000 C6 C 2.78700 -3.69600 -0.17000 1.000 O7 O 3.79000 -4.66300 0.14500 1.000 C8 C 3.42400 -2.50900 -0.90100 1.000 O9 O 2.43100 -1.55400 -1.22900 1.000 C10 C 4.09700 -3.00800 -2.18300 1.000 N11 N 4.81000 -1.89700 -2.82600 1.000 C12 C 4.62900 3.46200 0.15000 1.000 N13 N 5.31700 4.58200 -0.50800 1.000 C14 C 5.45400 2.18200 -0.01600 1.000 C15 C 4.70900 1.04300 0.67600 1.000 N16 N 5.51700 -0.17800 0.59700 1.000 C17 C 3.34400 0.80700 0.02100 1.000 C18 C 2.51800 2.08700 0.15900 1.000 O19 O 1.26900 1.95100 -0.52200 1.000 C20 C 3.26400 3.24600 -0.50000 1.000 O21 O 2.48700 4.43700 -0.37000 1.000 C22 C 0.20600 1.95200 0.45100 1.000 C23 C -1.11500 1.72000 -0.31300 1.000 O24 O -1.88000 2.92700 -0.36000 1.000 C25 C -1.85700 0.64700 0.50700 1.000 O26 O -3.10700 1.15600 0.98000 1.000 C27 C -0.91200 0.35800 1.68800 1.000 O28 O 0.37900 0.82100 1.29600 1.000 C29 C -0.81600 -1.17300 1.89200 1.000 C30 C -4.09400 0.79000 0.01200 1.000 C31 C -5.40300 1.51900 0.32300 1.000 N32 N -5.88600 1.11700 1.65100 1.000 C33 C -6.44600 1.14700 -0.73800 1.000 O34 O -6.04200 1.66300 -2.00800 1.000 C35 C -6.54900 -0.38100 -0.80700 1.000 O36 O -7.08700 -0.88000 0.42000 1.000 C37 C -5.15300 -0.96600 -1.03400 1.000 O38 O -4.30300 -0.62000 0.05800 1.000 C39 C -5.25100 -2.48900 -1.14000 1.000 N40 N -3.91200 -3.05100 -1.36000 1.000 H41 H 1.03700 -0.31000 -0.44700 1.000 H42 H 0.34300 -2.53600 0.14600 1.000 H43 H 1.15300 -0.91600 2.46000 1.000 H44 H 2.93600 -2.72200 1.75200 1.000 H45 H 2.19500 -4.87400 2.03400 1.000 H46 H 2.01800 -4.14700 -0.79400 1.000 H47 H 4.15400 -4.97300 -0.69600 1.000 H48 H 4.17500 -2.05600 -0.25600 1.000 H49 H 4.80400 -3.80000 -1.93800 1.000 H50 H 3.33900 -3.39600 -2.86400 1.000 H51 H 5.56500 -1.63900 -2.20700 1.000 H52 H 5.23600 -2.27000 -3.66200 1.000 H53 H 4.50100 3.68300 1.21000 1.000 H54 H 6.21500 4.67400 -0.05700 1.000 H55 H 5.49700 4.29300 -1.45800 1.000 H56 H 6.43400 2.31400 0.44400 1.000 H57 H 5.57300 1.95400 -1.07500 1.000 H58 H 4.55600 1.30400 1.72400 1.000 H59 H 6.40000 0.03000 1.03900 1.000 H60 H 5.05900 -0.86700 1.17400 1.000 H61 H 3.47300 0.55800 -1.02300 1.000 H62 H 2.34500 2.31000 1.20600 1.000 H63 H 3.40300 3.02200 -1.55800 1.000 H64 H 2.97600 5.14000 -0.82000 1.000 H65 H 0.19000 2.89500 0.97900 1.000 H66 H -0.91500 1.35800 -1.32000 1.000 H67 H -1.37000 3.56100 -0.88300 1.000 H68 H -2.01400 -0.24900 -0.09200 1.000 H69 H -1.26400 0.82800 2.60100 1.000 H70 H -1.34400 -1.44500 2.80800 1.000 H71 H -1.28700 -1.67800 1.04600 1.000 H72 H -3.74900 1.07300 -0.98200 1.000 H73 H -5.23400 2.59500 0.30700 1.000 H74 H -5.16700 1.37500 2.31100 1.000 H75 H -6.68800 1.69500 1.85500 1.000 H76 H -7.41300 1.56700 -0.46300 1.000 H77 H -6.72500 1.40600 -2.64300 1.000 H78 H -7.20100 -0.66500 -1.63300 1.000 H79 H -7.96200 -0.48100 0.52300 1.000 H80 H -4.73800 -0.56400 -1.95800 1.000 H81 H -5.89900 -2.75400 -1.97500 1.000 H82 H -5.66600 -2.89200 -0.21600 1.000 H83 H -3.38000 -2.87200 -0.52200 1.000 H84 H -4.02500 -4.05200 -1.42400 1.000