# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CPS' 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 -9.09200 1.90300 0.91900 1.000 C1 C -8.33000 0.63300 1.30100 1.000 C2 C -6.25900 1.64800 0.33000 1.000 C3 C -5.02400 1.43100 -0.56000 1.000 C4 C -4.30400 0.20200 -0.04000 1.000 C5 C -5.24800 -1.00800 -0.23900 1.000 C6 C -4.30200 -2.18400 0.02800 1.000 C7 C -2.99800 -1.75500 -0.69800 1.000 C8 C -3.03900 -0.21200 -0.78400 1.000 C9 C -3.99600 0.37400 1.44800 1.000 C10 C -7.78700 0.77400 2.72500 1.000 C11 C -9.64100 1.76200 -0.50200 1.000 C12 C -10.58300 0.55800 -0.56900 1.000 C13 C -9.81700 -0.71100 -0.19000 1.000 C14 C -9.27200 -0.57000 1.23200 1.000 C15 C -8.51200 -1.84100 1.61600 1.000 C16 C -7.33900 -2.04700 0.65500 1.000 C17 C -6.39700 -0.84500 0.73700 1.000 C18 C -7.16600 0.42200 0.33200 1.000 C19 C -1.80500 0.38600 -0.10600 1.000 C20 C -1.83800 1.91000 -0.23900 1.000 C21 C -0.54100 -0.15600 -0.77700 1.000 C22 C 0.69200 0.34300 -0.02100 1.000 C23 C 1.93700 -0.19100 -0.68100 1.000 C24 C 4.36000 -0.39900 -0.82600 1.000 C25 C 5.59300 0.10000 -0.07000 1.000 C26 C 6.85700 -0.44200 -0.74100 1.000 C27 C 8.06700 1.50600 -0.03600 1.000 C28 C 7.98500 -0.43100 1.37700 1.000 C29 C 9.25400 -0.48400 -0.65900 1.000 C30 C 10.48700 0.01600 0.09700 1.000 C31 C 11.75100 -0.52600 -0.57300 1.000 N32 N 3.15000 0.12000 -0.18400 1.000 N33 N 8.04000 0.03700 -0.01500 1.000 O34 O 1.84700 -0.90100 -1.66000 1.000 O35 O -11.09600 0.42700 -1.89700 1.000 O36 O -7.83400 -2.17400 -0.67900 1.000 O37 O -5.43000 1.22000 -1.91400 1.000 O38 O 13.14300 -0.40600 1.69800 1.000 O39 O 14.40400 -0.45800 -0.32600 1.000 O40 O 13.22400 1.52000 0.29300 1.000 S41 S 13.21200 0.06500 0.32300 1.000 H42 H -9.91800 2.05300 1.61400 1.000 H43 H -8.41900 2.75900 0.96500 1.000 H44 H -5.93300 1.85200 1.34900 1.000 H45 H -6.82000 2.50500 -0.04200 1.000 H46 H -4.36700 2.29900 -0.50000 1.000 H47 H -5.61400 -1.04100 -1.26500 1.000 H48 H -4.12800 -2.30400 1.09700 1.000 H49 H -4.69900 -3.10300 -0.40400 1.000 H50 H -2.12800 -2.07600 -0.12500 1.000 H51 H -2.96700 -2.18500 -1.69900 1.000 H52 H -3.09100 0.10700 -1.82500 1.000 H53 H -4.92400 0.54500 1.99400 1.000 H54 H -3.51200 -0.52700 1.82600 1.000 H55 H -3.33100 1.22800 1.58600 1.000 H56 H -8.61700 0.92200 3.41600 1.000 H57 H -7.24300 -0.13000 2.99800 1.000 H58 H -7.11500 1.63100 2.77400 1.000 H59 H -10.18700 2.66600 -0.77200 1.000 H60 H -8.81500 1.61500 -1.19800 1.000 H61 H -11.41000 0.70500 0.12600 1.000 H62 H -10.48800 -1.56900 -0.24000 1.000 H63 H -8.98900 -0.85600 -0.88400 1.000 H64 H -10.10000 -0.42200 1.92500 1.000 H65 H -8.13400 -1.74400 2.63400 1.000 H66 H -9.18400 -2.69700 1.55900 1.000 H67 H -6.79900 -2.95300 0.93100 1.000 H68 H -6.00800 -0.75200 1.75100 1.000 H69 H -7.56500 0.27600 -0.67200 1.000 H70 H -1.80200 0.11300 0.94900 1.000 H71 H -2.70200 2.30200 0.29800 1.000 H72 H -0.92600 2.33200 0.18400 1.000 H73 H -1.91000 2.18100 -1.29200 1.000 H74 H -0.56000 -1.24600 -0.76100 1.000 H75 H -0.50000 0.19100 -1.80900 1.000 H76 H 0.71100 1.43300 -0.03700 1.000 H77 H 0.65100 -0.00500 1.01200 1.000 H78 H 4.40200 -0.05200 -1.85800 1.000 H79 H 4.34100 -1.48900 -0.81000 1.000 H80 H 5.61200 1.19000 -0.08600 1.000 H81 H 6.83800 -1.53200 -0.72500 1.000 H82 H 7.16600 1.89200 0.44200 1.000 H83 H 8.94500 1.86200 0.50200 1.000 H84 H 8.10800 1.85400 -1.06900 1.000 H85 H 7.96500 -1.52100 1.39200 1.000 H86 H 8.86300 -0.07500 1.91500 1.000 H87 H 7.08400 -0.04500 1.85400 1.000 H88 H 9.29500 -0.13600 -1.69100 1.000 H89 H 9.23500 -1.57300 -0.64300 1.000 H90 H 10.50600 1.10600 0.08200 1.000 H91 H 10.44600 -0.33200 1.13000 1.000 H92 H 11.73100 -1.61600 -0.55700 1.000 H93 H 11.79200 -0.17900 -1.60500 1.000 H94 H 3.22200 0.68800 0.59900 1.000 H95 H -11.59400 1.19700 -2.20400 1.000 H96 H -8.44000 -2.91700 -0.80500 1.000 H97 H -5.92600 1.95700 -2.29500 1.000 H98 H 6.89800 -0.09500 -1.77300 1.000 H99 H 5.55200 -0.24700 0.96200 1.000