# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'C4H' 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 -4.27400 0.87200 0.55200 1.000 C1 C -4.42200 0.86600 1.94700 1.000 C2 C -4.79200 1.92200 -0.23500 1.000 N3 N -5.46300 2.98600 0.36500 1.000 C4 C -4.71000 4.20200 0.03100 1.000 C5 C -6.76400 3.09700 -0.30600 1.000 C6 C -4.62400 1.88900 -1.60400 1.000 C7 C -3.95600 0.83200 -2.21300 1.000 C8 C -3.45200 -0.19800 -1.47800 1.000 C9 C -3.60200 -0.20300 -0.08100 1.000 C10 C -3.09100 -1.25200 0.70200 1.000 C11 C -3.25700 -1.22700 2.05300 1.000 C12 C -3.91900 -0.17000 2.67400 1.000 S13 S -2.25000 -2.60000 -0.06100 1.000 N14 N -0.87600 -1.99400 -0.76000 1.000 C15 C 0.17500 -1.41000 0.07700 1.000 C16 C 1.46900 -1.30300 -0.73100 1.000 C17 C 2.56700 -0.69300 0.14400 1.000 C18 C 3.86200 -0.58600 -0.66400 1.000 N19 N 4.91300 -0.00200 0.17300 1.000 C20 C 6.14800 0.19000 -0.33200 1.000 O21 O 6.38900 -0.12200 -1.47900 1.000 C22 C 7.22900 0.79000 0.52900 1.000 C23 C 8.52400 0.89800 -0.27900 1.000 S24 S 9.82500 1.62100 0.75700 1.000 O25 O -1.80900 -3.43200 1.00300 1.000 O26 O -3.08100 -3.01200 -1.13800 1.000 H27 H -4.93300 1.67900 2.44200 1.000 H28 H -5.19800 5.06700 0.48100 1.000 H29 H -3.69300 4.11700 0.41600 1.000 H30 H -4.67900 4.32500 -1.05200 1.000 H31 H -7.36300 2.21300 -0.08800 1.000 H32 H -7.28400 3.98600 0.05300 1.000 H33 H -6.61200 3.17600 -1.38300 1.000 H34 H -5.01600 2.69300 -2.20900 1.000 H35 H -3.83600 0.82700 -3.28600 1.000 H36 H -2.93700 -1.01100 -1.96900 1.000 H37 H -2.86700 -2.03600 2.65200 1.000 H38 H -4.03400 -0.17100 3.74800 1.000 H39 H -0.76700 -2.02700 -1.72300 1.000 H40 H -0.13200 -0.41700 0.40600 1.000 H41 H 0.34100 -2.04500 0.94800 1.000 H42 H 1.77600 -2.29600 -1.05900 1.000 H43 H 1.30300 -0.66800 -1.60100 1.000 H44 H 2.26000 0.30000 0.47200 1.000 H45 H 2.73300 -1.32800 1.01400 1.000 H46 H 4.16900 -1.57900 -0.99300 1.000 H47 H 3.69500 0.04900 -1.53500 1.000 H48 H 4.72000 0.24800 1.09000 1.000 H49 H 6.92200 1.78300 0.85700 1.000 H50 H 7.39500 0.15500 1.39900 1.000 H51 H 8.83100 -0.09500 -0.60700 1.000 H52 H 8.35700 1.53300 -1.14900 1.000 H53 H 10.84600 1.62600 -0.11900 1.000