# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'J75' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy N0 N 3.19500 -2.45800 -0.00100 1.000 C1 C 2.14900 -3.25900 -0.00100 1.000 N2 N 0.91600 -2.79600 -0.00000 1.000 C3 C 0.67900 -1.48500 0.00000 1.000 C4 C 1.75600 -0.60400 -0.00000 1.000 C5 C 3.04200 -1.13500 -0.00100 1.000 N6 N -0.62200 -1.00600 0.00000 1.000 C7 C -3.04300 -1.17300 -0.00000 1.000 C8 C -3.63700 -0.82000 -1.19700 1.000 C9 C -4.82800 -0.11800 -1.19700 1.000 C10 C -5.42500 0.23000 0.00000 1.000 C11 C -4.83200 -0.12500 1.19700 1.000 C12 C -3.64000 -0.82500 1.19700 1.000 S13 S -6.94300 1.12500 0.00000 1.000 O14 O -7.01400 1.79400 1.25200 1.000 O15 O -7.01000 1.80200 -1.24700 1.000 N16 N -8.16900 0.01200 -0.00500 1.000 N17 N 1.53900 0.86100 0.00000 1.000 O18 O 1.45000 1.46300 1.05500 1.000 O19 O 1.44900 1.46300 -1.05400 1.000 N20 N 4.14800 -0.29900 -0.00000 1.000 C21 C 5.49700 -0.86900 -0.00000 1.000 C22 C 6.51300 0.24400 -0.00000 1.000 C23 C 6.97900 0.75400 1.19700 1.000 C24 C 7.91100 1.77500 1.19800 1.000 C25 C 8.37700 2.28600 0.00100 1.000 C26 C 7.91200 1.77500 -1.19700 1.000 C27 C 6.98300 0.75100 -1.19700 1.000 C28 C -1.74800 -1.94400 -0.00000 1.000 H29 H 2.30800 -4.32700 -0.00200 1.000 H30 H -0.78700 -0.05000 0.00000 1.000 H31 H -3.17100 -1.09100 -2.13200 1.000 H32 H -5.29200 0.15900 -2.13200 1.000 H33 H -5.29800 0.14800 2.13300 1.000 H34 H -3.17600 -1.10100 2.13200 1.000 H35 H -7.96300 -0.93600 -0.00800 1.000 H36 H -9.09300 0.30800 -0.00600 1.000 H37 H 4.02800 0.66400 -0.00000 1.000 H38 H 5.63200 -1.48400 0.88900 1.000 H39 H 5.63200 -1.48400 -0.89100 1.000 H40 H 6.61500 0.35500 2.13200 1.000 H41 H 8.27400 2.17400 2.13300 1.000 H42 H 9.10500 3.08400 0.00100 1.000 H43 H 8.27600 2.17400 -2.13200 1.000 H44 H 6.62200 0.34900 -2.13200 1.000 H45 H -1.69800 -2.57100 -0.89000 1.000 H46 H -1.69800 -2.57100 0.89000 1.000