# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CYC' 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 -2.34800 0.02200 -0.09800 1.000 N1 N -0.44400 -1.51100 -0.05200 1.000 C2 C -1.73200 -1.23300 -0.27400 1.000 C3 C -2.37200 -2.41500 -0.71700 1.000 C4 C -1.42200 -3.38900 -0.74700 1.000 C5 C -0.21200 -2.79500 -0.32200 1.000 C6 C -1.62300 -4.82600 -1.15400 1.000 C7 C -3.82500 -2.56600 -1.08500 1.000 C8 C -4.64500 -2.83800 0.17800 1.000 C9 C -6.09900 -2.98900 -0.19000 1.000 O10 O -6.44400 -2.88900 -1.34400 1.000 O11 O -7.01100 -3.23400 0.76400 1.000 C12 C 1.03700 -3.45300 -0.20500 1.000 N13 N 2.08200 -1.54300 0.96400 1.000 C14 C 2.08300 -2.83500 0.44500 1.000 C15 C 3.35100 -3.39700 0.70700 1.000 C16 C 4.08400 -2.46000 1.36600 1.000 C17 C 3.28600 -1.31000 1.52000 1.000 C18 C 3.80900 -4.78200 0.32700 1.000 C19 C 5.50300 -2.62300 1.84600 1.000 C20 C 6.46500 -2.07600 0.78900 1.000 O21 O 3.62700 -0.27500 2.06800 1.000 N22 N 2.19800 1.44100 -1.27500 1.000 C23 C 3.29700 1.04400 -1.92800 1.000 C24 C 4.48600 1.84600 -1.45000 1.000 C25 C 3.89500 2.79700 -0.39000 1.000 C26 C 2.42500 2.44200 -0.36800 1.000 C27 C 5.53500 0.92700 -0.82000 1.000 C28 C 4.09000 4.25500 -0.80800 1.000 C29 C 5.58300 4.59000 -0.81200 1.000 O30 O 3.33400 0.17400 -2.77200 1.000 C31 C 1.49000 3.01700 0.41500 1.000 N32 N -0.20900 1.25800 0.02100 1.000 C33 C 0.17100 2.50400 0.43700 1.000 C34 C -0.96300 3.18400 0.88700 1.000 C35 C -2.04600 2.34400 0.74400 1.000 C36 C -1.57800 1.13700 0.20300 1.000 C37 C -0.99600 4.58800 1.43300 1.000 C38 C -3.47400 2.66300 1.10500 1.000 C39 C -4.17800 3.28300 -0.10400 1.000 C40 C -5.60600 3.60200 0.25700 1.000 O41 O -6.01800 3.36000 1.36700 1.000 O42 O -6.42000 4.15700 -0.65500 1.000 H43 H -3.41900 0.11800 -0.20200 1.000 H44 H -1.45000 -4.92700 -2.22500 1.000 H45 H -0.92000 -5.45800 -0.61100 1.000 H46 H -2.64200 -5.13100 -0.92000 1.000 H47 H -4.17800 -1.64900 -1.55700 1.000 H48 H -3.94000 -3.39900 -1.77900 1.000 H49 H -4.29300 -3.75500 0.65000 1.000 H50 H -4.53100 -2.00500 0.87200 1.000 H51 H -7.93100 -3.32300 0.48000 1.000 H52 H 1.16900 -4.43900 -0.62400 1.000 H53 H 1.34200 -0.91700 0.92700 1.000 H54 H 3.00300 -5.30100 -0.19100 1.000 H55 H 4.67700 -4.71100 -0.32800 1.000 H56 H 4.07800 -5.33600 1.22700 1.000 H57 H 5.63700 -2.07300 2.77800 1.000 H58 H 5.71100 -3.67900 2.01500 1.000 H59 H 7.49200 -2.19400 1.13700 1.000 H60 H 6.33200 -2.62600 -0.14200 1.000 H61 H 6.25800 -1.02000 0.62100 1.000 H62 H 1.32100 1.05800 -1.43200 1.000 H63 H 4.92000 2.41400 -2.27300 1.000 H64 H 4.34800 2.61300 0.58400 1.000 H65 H 5.93900 0.26100 -1.58300 1.000 H66 H 6.34100 1.52900 -0.40000 1.000 H67 H 5.07300 0.33600 -0.02900 1.000 H68 H 3.68200 4.40500 -1.80800 1.000 H69 H 3.57400 4.90700 -0.10400 1.000 H70 H 5.71700 5.65300 -1.01400 1.000 H71 H 6.01200 4.34800 0.16000 1.000 H72 H 6.08400 4.00700 -1.58600 1.000 H73 H 1.74800 3.87000 1.02600 1.000 H74 H 0.37700 0.57600 -0.34200 1.000 H75 H -1.16200 5.29100 0.61600 1.000 H76 H -1.80400 4.67600 2.15900 1.000 H77 H -0.04500 4.81200 1.91700 1.000 H78 H -3.98800 1.74800 1.39600 1.000 H79 H -3.48900 3.36900 1.93600 1.000 H80 H -3.66300 4.19900 -0.39400 1.000 H81 H -4.16200 2.57800 -0.93400 1.000 H82 H -7.32800 4.34400 -0.37700 1.000