# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9SK' 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 -3.63400 1.50600 -0.15300 1.000 C1 C -2.39600 3.32100 1.03300 1.000 C2 C -1.14500 1.53600 0.03200 1.000 C3 C 2.73600 3.26300 -1.36600 1.000 C4 C 2.66100 3.80000 -2.79600 1.000 C5 C 4.11100 2.63300 -1.12800 1.000 C6 C 4.15700 2.04500 0.28500 1.000 C7 C 5.73500 0.10000 0.14500 1.000 C8 C -7.05700 -1.18800 -2.42100 1.000 C9 C -8.71700 -2.24600 -1.13800 1.000 C10 C -8.16200 -1.72000 0.04300 1.000 C11 C -6.97400 -0.86800 -0.04900 1.000 C12 C -6.44900 -0.62800 -1.27800 1.000 C13 C -5.22100 0.23400 -1.42100 1.000 C14 C -3.68300 2.49100 1.01900 1.000 C15 C -2.41000 4.26500 2.23600 1.000 C16 C 1.68600 1.72400 0.14500 1.000 C17 C 7.03000 -0.10600 0.52200 1.000 C18 C 7.82000 -1.35200 0.35400 1.000 C19 C 9.14100 -1.40600 0.79500 1.000 C20 C 9.87300 -2.56800 0.63700 1.000 C21 C 9.29500 -3.67800 0.04000 1.000 C22 C 7.98100 -3.62700 -0.40000 1.000 C23 C 7.24100 -2.47100 -0.24000 1.000 C24 C 3.01800 1.03200 0.44300 1.000 C25 C -2.38100 0.63500 -0.02200 1.000 C26 C -8.74600 -2.01400 1.28100 1.000 C27 C -9.86600 -2.82000 1.33200 1.000 C28 C -10.40900 -3.33700 0.16300 1.000 C29 C -9.84200 -3.05400 -1.06200 1.000 F30 F 11.15400 -2.62100 1.06400 1.000 F31 F 10.01400 -4.81200 -0.11300 1.000 F32 F 7.42200 -4.71100 -0.98200 1.000 F33 F -8.21700 -1.51200 2.41900 1.000 F34 F -10.43500 -3.10800 2.52300 1.000 N35 N 5.44200 1.37300 0.49500 1.000 N36 N 7.44800 1.04600 1.07700 1.000 N37 N 6.48300 1.89500 1.04300 1.000 O38 O -6.57700 -0.96500 -3.51800 1.000 O39 O -8.14800 -1.96400 -2.33000 1.000 O40 O -4.79800 0.67800 -0.13000 1.000 O41 O -3.79700 1.76800 2.24600 1.000 O42 O -1.26600 5.12000 2.18400 1.000 O43 O -1.26900 2.44700 1.12500 1.000 O44 O 1.72100 2.27500 -1.17300 1.000 O45 O 1.42300 4.49000 -2.98200 1.000 O46 O 4.33200 1.59400 -2.08500 1.000 O47 O 3.00700 0.53000 1.78100 1.000 O48 O -2.28700 -0.23900 -1.14800 1.000 S49 S 0.33800 0.51600 0.25900 1.000 H50 H -3.59700 2.05900 -1.09200 1.000 H51 H -2.33000 3.90300 0.11400 1.000 H52 H 2.58500 4.08100 -0.66200 1.000 H53 H 3.48900 4.48600 -2.97100 1.000 H54 H 2.72200 2.96900 -3.50000 1.000 H55 H 4.88300 3.39500 -1.23100 1.000 H56 H 4.03800 2.84400 1.01700 1.000 H57 H 5.07900 -0.60800 -0.34000 1.000 H58 H -6.52300 -0.44800 0.83800 1.000 H59 H -4.42300 -0.34600 -1.88500 1.000 H60 H -5.45300 1.09700 -2.04400 1.000 H61 H -4.54100 3.15300 0.90400 1.000 H62 H -3.31700 4.87000 2.21300 1.000 H63 H -2.38600 3.68100 3.15600 1.000 H64 H 9.59100 -0.54200 1.25900 1.000 H65 H 6.21600 -2.43400 -0.57800 1.000 H66 H 3.16500 0.20800 -0.25500 1.000 H67 H -2.44200 0.04500 0.89300 1.000 H68 H -11.28500 -3.96700 0.21400 1.000 H69 H -10.27500 -3.46200 -1.96400 1.000 H70 H -3.83300 2.32900 3.03200 1.000 H71 H -1.21000 5.74700 2.91800 1.000 H72 H 1.30700 4.85800 -3.86800 1.000 H73 H 4.31100 1.89500 -3.00400 1.000 H74 H 2.31000 -0.11700 1.95200 1.000 H75 H -1.51500 -0.82200 -1.13100 1.000 H76 H -1.06200 2.09500 -0.90000 1.000 H77 H 1.52100 2.52200 0.86800 1.000