# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CNS' 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 -0.49200 -0.00500 15.21600 1.000 C1 C 0.39800 0.00400 13.97200 1.000 C2 C -0.47700 -0.00500 12.71800 1.000 C3 C 0.41300 0.00400 11.47400 1.000 C4 C -0.46100 -0.00500 10.21900 1.000 C5 C 0.42900 0.00400 8.97500 1.000 C6 C -0.44600 -0.00400 7.72100 1.000 C7 C 0.44400 0.00400 6.47700 1.000 C8 C -0.43100 -0.00400 5.22200 1.000 C9 C 0.45900 0.00500 3.97900 1.000 C10 C -0.41500 -0.00400 2.72400 1.000 C11 C 0.47500 0.00500 1.48000 1.000 C12 C -0.40000 -0.00400 0.22500 1.000 C13 C 0.49000 0.00500 -1.01700 1.000 C14 C -0.38500 -0.00400 -2.27200 1.000 C15 C 0.50500 0.00500 -3.51600 1.000 O16 O -0.32500 -0.00300 -4.70700 1.000 C17 C 0.24300 0.00200 -5.92200 1.000 C18 C -0.61800 -0.00600 -7.15800 1.000 C19 C 0.27200 0.00300 -8.40200 1.000 O20 O 1.44700 0.01500 -6.02600 1.000 C21 C -0.58700 -0.00600 -12.15500 1.000 C22 C 0.28700 0.00300 -10.90000 1.000 C23 C -0.60300 -0.00600 -9.65600 1.000 C24 C 0.30300 0.00300 -13.39900 1.000 C25 C -0.57200 -0.00600 -14.65300 1.000 H26 H 0.13100 0.00100 16.11000 1.000 H27 H -1.13100 0.87700 15.21200 1.000 H28 H -1.11200 -0.90200 15.21200 1.000 H29 H 1.01700 0.90100 13.97600 1.000 H30 H 1.03700 -0.87800 13.97600 1.000 H31 H -1.09600 -0.90200 12.71400 1.000 H32 H -1.11600 0.87700 12.71400 1.000 H33 H 1.03300 0.90100 11.47800 1.000 H34 H 1.05200 -0.87800 11.47800 1.000 H35 H -1.08100 -0.90100 10.21500 1.000 H36 H -1.10000 0.87800 10.21500 1.000 H37 H 1.04800 0.90100 8.97900 1.000 H38 H 1.06800 -0.87800 8.97900 1.000 H39 H -1.06600 -0.90100 7.71700 1.000 H40 H -1.08500 0.87800 7.71700 1.000 H41 H 1.06400 0.90100 6.48100 1.000 H42 H 1.08300 -0.87800 6.48100 1.000 H43 H -1.05000 -0.90100 5.21800 1.000 H44 H -1.07000 0.87800 5.21800 1.000 H45 H 1.07900 0.90100 3.98200 1.000 H46 H 1.09800 -0.87800 3.98200 1.000 H47 H -1.05400 0.87800 2.72000 1.000 H48 H -1.03500 -0.90100 2.72000 1.000 H49 H 1.09400 0.90200 1.48400 1.000 H50 H 1.11400 -0.87700 1.48400 1.000 H51 H -1.02000 -0.90100 0.22200 1.000 H52 H -1.03900 0.87800 0.22200 1.000 H53 H 1.11000 0.90200 -1.01400 1.000 H54 H 1.12900 -0.87700 -1.01400 1.000 H55 H -1.00400 -0.90100 -2.27600 1.000 H56 H -1.02400 0.87800 -2.27600 1.000 H57 H 1.12500 0.90200 -3.51200 1.000 H58 H 1.14400 -0.87700 -3.51200 1.000 H59 H -1.23800 -0.90300 -7.16200 1.000 H60 H -1.25700 0.87600 -7.16200 1.000 H61 H 0.89200 0.89900 -8.39800 1.000 H62 H 0.91100 -0.88000 -8.39800 1.000 H63 H -1.20700 -0.90300 -12.15900 1.000 H64 H -1.22600 0.87600 -12.15900 1.000 H65 H 0.90700 0.89900 -10.89600 1.000 H66 H 0.92600 -0.87900 -10.89600 1.000 H67 H -1.22200 -0.90300 -9.66000 1.000 H68 H -1.24200 0.87600 -9.66000 1.000 H69 H 0.92200 0.90000 -13.39500 1.000 H70 H 0.94200 -0.87900 -13.39500 1.000 H71 H 0.06200 0.00000 -15.53900 1.000 H72 H -1.19200 -0.90300 -14.65700 1.000 H73 H -1.21100 0.87600 -14.65700 1.000