# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '01A' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy O0 O -10.72100 -3.47000 -0.00700 1.000 P1 P -9.51700 -3.05200 0.97600 1.000 O2 O -9.78900 -1.57700 1.56000 1.000 O3 O -9.43500 -4.01800 2.09400 1.000 O4 O -8.13000 -3.05800 0.15900 1.000 C5 C -6.86100 -2.83100 0.77600 1.000 C6 C -5.89200 -3.99800 0.46800 1.000 O7 O -6.61100 -5.16900 0.07700 1.000 C8 C -5.07000 -3.43200 -0.71900 1.000 N9 N -3.76200 -4.08600 -0.79900 1.000 C10 C -3.48400 -5.27300 -1.42900 1.000 C11 C -2.11000 -5.49800 -1.24300 1.000 C12 C -1.54800 -6.66200 -1.79300 1.000 N13 N -0.20000 -6.93800 -1.64200 1.000 N14 N -2.34100 -7.49300 -2.46200 1.000 C15 C -3.62800 -7.23800 -2.61100 1.000 N16 N -4.19800 -6.16100 -2.11300 1.000 N17 N -1.62800 -4.45600 -0.52200 1.000 C18 C -2.59500 -3.62300 -0.26600 1.000 O19 O -4.92100 -2.03400 -0.38900 1.000 C20 C -6.17500 -1.59700 0.16100 1.000 C21 C -5.92900 -0.54400 1.24300 1.000 O22 O -5.40000 0.64100 0.64500 1.000 P23 P -5.02300 1.95800 1.49100 1.000 O24 O -4.07700 1.59600 2.57000 1.000 O25 O -6.35900 2.58300 2.13500 1.000 O26 O -4.33700 3.04200 0.51800 1.000 P27 P -3.39700 4.32600 0.76200 1.000 O28 O -2.33700 3.98500 1.73600 1.000 O29 O -4.28500 5.53900 1.33900 1.000 O30 O -2.72300 4.77000 -0.63200 1.000 C31 C -1.75400 5.81600 -0.72900 1.000 C32 C -1.32300 5.97700 -2.18800 1.000 C33 C -0.71200 4.66700 -2.68800 1.000 C34 C -2.54200 6.33000 -3.04300 1.000 C35 C -0.28600 7.09700 -2.29300 1.000 O36 O -0.89400 8.34400 -1.95200 1.000 C37 C 0.85200 6.81700 -1.34500 1.000 O38 O 0.99600 7.49900 -0.35200 1.000 N39 N 1.71000 5.81000 -1.60000 1.000 C40 C 2.75200 5.47100 -0.62800 1.000 C41 C 3.58300 4.30000 -1.15800 1.000 C42 C 4.65500 3.95100 -0.15800 1.000 O43 O 4.74500 4.57700 0.87700 1.000 N44 N 5.51300 2.94400 -0.41400 1.000 C45 C 6.55500 2.60500 0.55900 1.000 C46 C 7.38600 1.43500 0.02900 1.000 S47 S 8.67600 1.01500 1.23200 1.000 C48 C 9.54000 -0.36900 0.43900 1.000 C49 C 10.66000 -0.84000 1.33100 1.000 O50 O 10.85600 -0.29500 2.39600 1.000 C51 C 11.51500 -1.95900 0.90800 1.000 C52 C 12.55600 -2.39900 1.73300 1.000 C53 C 13.35300 -3.44800 1.33100 1.000 C54 C 11.28800 -2.59400 -0.31800 1.000 C55 C 12.09300 -3.64200 -0.70700 1.000 C56 C 13.12600 -4.06800 0.11200 1.000 Cl57 Cl 14.13600 -5.38900 -0.38600 1.000 H58 H -11.58900 -3.48800 0.41900 1.000 H59 H -9.85400 -0.89100 0.88200 1.000 H60 H -6.97900 -2.70500 1.85300 1.000 H61 H -5.24800 -4.20500 1.32200 1.000 H62 H -6.04700 -5.92700 -0.12700 1.000 H63 H -5.61700 -3.54900 -1.65500 1.000 H64 H 0.36800 -6.32400 -1.15200 1.000 H65 H 0.17600 -7.74500 -2.02700 1.000 H66 H -4.23700 -7.94000 -3.16200 1.000 H67 H -2.49000 -2.70500 0.29300 1.000 H68 H -6.80000 -1.18000 -0.62900 1.000 H69 H -6.87000 -0.31000 1.74300 1.000 H70 H -5.21800 -0.93100 1.97200 1.000 H71 H -7.02400 2.84400 1.48300 1.000 H72 H -5.00100 5.81700 0.75100 1.000 H73 H -2.19000 6.74900 -0.37300 1.000 H74 H -0.88600 5.56400 -0.12000 1.000 H75 H -1.47700 3.89100 -2.70300 1.000 H76 H -0.32000 4.81000 -3.69500 1.000 H77 H 0.09700 4.36600 -2.02200 1.000 H78 H -3.04800 7.19600 -2.61600 1.000 H79 H -2.21900 6.56300 -4.05800 1.000 H80 H -3.22800 5.48300 -3.06600 1.000 H81 H 0.09500 7.14500 -3.31300 1.000 H82 H -1.25600 8.37300 -1.05600 1.000 H83 H 1.63800 5.30900 -2.42800 1.000 H84 H 3.39900 6.33400 -0.47200 1.000 H85 H 2.28900 5.18900 0.31700 1.000 H86 H 2.93600 3.43700 -1.31400 1.000 H87 H 4.04600 4.58200 -2.10400 1.000 H88 H 5.44000 2.44400 -1.24100 1.000 H89 H 7.20100 3.46800 0.71400 1.000 H90 H 6.09200 2.32300 1.50400 1.000 H91 H 6.73900 0.57100 -0.12700 1.000 H92 H 7.84900 1.71700 -0.91700 1.000 H93 H 8.83900 -1.18800 0.27300 1.000 H94 H 9.94900 -0.04200 -0.51700 1.000 H95 H 12.73400 -1.91700 2.68300 1.000 H96 H 14.15700 -3.78900 1.96700 1.000 H97 H 10.48300 -2.26300 -0.95800 1.000 H98 H 11.91900 -4.13300 -1.65300 1.000