# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '06S' 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 -8.12600 -5.07100 0.98400 1.000 C1 C -7.83500 -4.14000 0.24900 1.000 C2 C -6.69900 -3.26700 0.56000 1.000 N3 N -5.78600 -3.21800 1.55800 1.000 C4 C -4.97600 -2.22100 1.34800 1.000 N5 N -8.54600 -3.89700 -0.86300 1.000 C6 C -8.24500 -2.89700 -1.66300 1.000 N7 N -9.00600 -2.69700 -2.78300 1.000 N8 N -7.20600 -2.05500 -1.42100 1.000 C9 C -6.41600 -2.22400 -0.31300 1.000 N10 N -5.33200 -1.57900 0.19800 1.000 C11 C -4.66900 -0.40800 -0.38100 1.000 C12 C -5.33100 0.89200 0.12900 1.000 O13 O -6.25900 1.39200 -0.83600 1.000 C14 C -4.14900 1.87200 0.30200 1.000 O15 O -4.31100 3.00800 -0.55000 1.000 P16 P -4.38000 4.51700 0.00500 1.000 S17 S -2.52000 5.03400 0.88200 1.000 O18 O -5.45000 4.62100 1.02200 1.000 O19 O -4.69700 5.52300 -1.21200 1.000 O20 O -3.30100 -0.32900 0.07500 1.000 C21 C -2.91300 1.04800 -0.12300 1.000 C22 C -1.71200 1.39600 0.75900 1.000 O23 O -0.55300 0.71200 0.27700 1.000 P24 P 0.89500 0.84700 0.96800 1.000 O25 O 0.79000 0.50000 2.40300 1.000 S26 S 1.58900 2.84000 0.77200 1.000 O27 O 1.92800 -0.15500 0.24700 1.000 C28 C 3.27000 -0.34700 0.69900 1.000 C29 C 4.27200 0.03800 -0.40700 1.000 C30 C 5.17700 1.17000 0.08200 1.000 O31 O 6.02300 1.59800 -0.98700 1.000 P32 P 7.10800 2.77800 -0.82900 1.000 S33 S 6.10900 4.61000 -0.45300 1.000 O34 O 7.96600 2.90400 -2.18500 1.000 O35 O 8.01200 2.46800 0.30100 1.000 O36 O 5.06100 -1.13000 -0.69400 1.000 C37 C 3.54700 -1.84800 0.95600 1.000 O38 O 2.32500 -2.56800 1.13700 1.000 C39 C 4.25300 -2.27700 -0.35500 1.000 N40 N 5.09700 -3.45200 -0.12500 1.000 C41 C 4.85200 -4.59100 -0.79800 1.000 O42 O 3.93100 -4.63300 -1.59000 1.000 C43 C 6.13200 -3.37900 0.76800 1.000 C44 C 6.91000 -4.46200 0.98000 1.000 C45 C 6.63700 -5.65600 0.27000 1.000 N46 N 5.61200 -5.68500 -0.60600 1.000 O47 O 7.32600 -6.64600 0.44400 1.000 H48 H -4.15000 -1.94400 1.98600 1.000 H49 H -9.75200 -3.28700 -2.97400 1.000 H50 H -8.80000 -1.96500 -3.38600 1.000 H51 H -7.02000 -1.33000 -2.03800 1.000 H52 H -4.70400 -0.45200 -1.46900 1.000 H53 H -5.82900 0.71800 1.08300 1.000 H54 H -7.02100 0.81600 -0.98400 1.000 H55 H -4.06200 2.18500 1.34200 1.000 H56 H -2.72000 6.29800 1.29400 1.000 H57 H -4.03500 5.50800 -1.91700 1.000 H58 H -2.67900 1.22900 -1.17200 1.000 H59 H -1.53800 2.47100 0.72900 1.000 H60 H -1.91400 1.08900 1.78500 1.000 H61 H 1.63500 3.01500 -0.56100 1.000 H62 H 3.45700 0.23600 1.60200 1.000 H63 H 3.73400 0.35000 -1.30200 1.000 H64 H 4.56400 2.00700 0.41700 1.000 H65 H 5.79000 0.81400 0.91000 1.000 H66 H 5.33500 4.76200 -1.54300 1.000 H67 H 8.64100 3.59600 -2.16100 1.000 H68 H 4.20500 -1.98100 1.81500 1.000 H69 H 2.44600 -3.51300 1.30100 1.000 H70 H 3.52100 -2.47700 -1.13700 1.000 H71 H 6.32500 -2.46000 1.30100 1.000 H72 H 7.73000 -4.41800 1.68200 1.000 H73 H 5.42200 -6.49800 -1.10000 1.000