# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0S6' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cl0 Cl -6.19100 0.76600 0.75400 1.000 C1 C -4.47800 0.49000 0.68000 1.000 C2 C -3.62200 1.54200 0.40300 1.000 C3 C -2.26000 1.32900 0.34300 1.000 C4 C -3.97400 -0.78000 0.90300 1.000 C5 C -2.61400 -1.00400 0.84600 1.000 C6 C -1.74700 0.05000 0.56200 1.000 C7 C -0.28600 -0.18500 0.49900 1.000 C8 C 0.48600 0.64100 -0.45000 1.000 C9 C -0.00800 1.03200 -1.75900 1.000 C10 C -1.34800 0.59900 -2.29400 1.000 C11 C 0.82500 1.80200 -2.43800 1.000 C12 C 0.55500 2.35000 -3.81600 1.000 S13 S 2.28600 2.09900 -1.51600 1.000 C14 C 1.74900 1.14200 -0.21000 1.000 N15 N 2.49500 0.86600 0.93900 1.000 C16 C 3.37000 1.66300 1.59800 1.000 C17 C 3.74100 3.07900 1.24200 1.000 N18 N 3.83100 0.96400 2.60400 1.000 N19 N 3.29400 -0.20700 2.60900 1.000 C20 C 2.46400 -0.31300 1.61200 1.000 N21 N 0.19800 -1.09300 1.28500 1.000 C22 C 1.60500 -1.49600 1.24700 1.000 C23 C 1.96000 -1.98400 -0.16000 1.000 C24 C 1.17900 -3.23500 -0.46900 1.000 O25 O 0.41700 -3.69000 0.35100 1.000 O26 O 1.32900 -3.84400 -1.65600 1.000 C27 C 0.54500 -5.04400 -1.88500 1.000 H28 H -4.02000 2.53200 0.23300 1.000 H29 H -1.59200 2.14900 0.12600 1.000 H30 H -4.64700 -1.59600 1.12300 1.000 H31 H -2.22200 -1.99500 1.02200 1.000 H32 H -2.08800 1.37300 -2.09000 1.000 H33 H -1.27600 0.44000 -3.37000 1.000 H34 H -1.65000 -0.32900 -1.80900 1.000 H35 H 0.05800 3.31700 -3.73100 1.000 H36 H 1.49700 2.47200 -4.35000 1.000 H37 H -0.08600 1.65900 -4.36300 1.000 H38 H 3.06600 3.77000 1.74800 1.000 H39 H 4.76600 3.27600 1.55600 1.000 H40 H 3.65800 3.21600 0.16300 1.000 H41 H 1.77400 -2.29900 1.96500 1.000 H42 H 1.71000 -1.21100 -0.88600 1.000 H43 H 3.02700 -2.20000 -0.21100 1.000 H44 H 0.76100 -5.43500 -2.87900 1.000 H45 H 0.80100 -5.79400 -1.13600 1.000 H46 H -0.51600 -4.80500 -1.81100 1.000