# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CGK' 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 6.74300 -2.58100 -0.39700 1.000 C1 C 7.52800 -1.44400 -0.03300 1.000 C2 C 9.01700 -1.74500 -0.21900 1.000 C3 C 9.29100 -2.07300 -1.68800 1.000 C4 C 10.75700 -2.37000 -1.87100 1.000 O5 O 11.23200 -2.68600 -3.08600 1.000 O6 O 11.50600 -2.32300 -0.92400 1.000 O7 O 7.26000 -1.06600 1.32000 1.000 C8 C 6.75000 0.23800 1.55200 1.000 C9 C 6.00900 0.77200 0.28100 1.000 S10 S 7.04200 0.01400 -1.03700 1.000 C11 C 5.58800 0.14400 2.57100 1.000 O12 O 5.70900 -1.04300 3.35900 1.000 C13 C 4.31800 0.08400 1.70200 1.000 O14 O 4.73900 0.09900 0.32800 1.000 C15 C 3.43400 1.30000 1.98700 1.000 O16 O 2.20800 1.17800 1.26400 1.000 P17 P 1.03800 2.28200 1.33000 1.000 O18 O 0.43800 2.34100 2.82300 1.000 O19 O 1.58900 3.60700 0.96700 1.000 O20 O -0.13200 1.88600 0.29700 1.000 P21 P -1.32300 2.70500 -0.41100 1.000 O22 O -1.91400 3.65400 0.55900 1.000 O23 O -0.73900 3.52100 -1.67100 1.000 O24 O -2.45600 1.67800 -0.91600 1.000 C25 C -3.69200 2.10400 -1.49200 1.000 C26 C -4.53200 0.87900 -1.85900 1.000 O27 O -4.99800 0.21300 -0.66400 1.000 C28 C -6.13400 -0.57300 -1.08600 1.000 C29 C -6.89600 0.33300 -2.07700 1.000 O30 O -7.43200 -0.44000 -3.15300 1.000 C31 C -5.81900 1.31100 -2.59700 1.000 O32 O -5.65500 1.17100 -4.01000 1.000 N33 N -6.98200 -0.90000 0.06300 1.000 C34 C -7.85300 -1.95700 0.15400 1.000 C35 C -8.44000 -1.86500 1.42800 1.000 N36 N -7.90800 -0.77800 2.03600 1.000 C37 C -7.04800 -0.21400 1.23800 1.000 N38 N -8.21000 -2.95100 -0.65200 1.000 C39 C -9.10000 -3.84100 -0.26600 1.000 N40 N -9.68000 -3.79600 0.92000 1.000 C41 C -9.39000 -2.83500 1.79100 1.000 N42 N -10.00200 -2.79600 3.03200 1.000 H43 H 5.79200 -2.45700 -0.27800 1.000 H44 H 9.60300 -0.87300 0.07400 1.000 H45 H 9.29600 -2.59600 0.40200 1.000 H46 H 8.70500 -2.94500 -1.98100 1.000 H47 H 9.01200 -1.22200 -2.30900 1.000 H48 H 12.17900 -2.86800 -3.15400 1.000 H49 H 7.53400 0.92200 1.87900 1.000 H50 H 5.94500 1.85800 0.22300 1.000 H51 H 5.57000 1.02600 3.21100 1.000 H52 H 4.97900 -1.18100 3.97700 1.000 H53 H 3.76800 -0.83300 1.91100 1.000 H54 H 3.22300 1.35300 3.05500 1.000 H55 H 3.95200 2.20700 1.67400 1.000 H56 H 0.05900 1.50500 3.12800 1.000 H57 H -0.33500 2.96100 -2.34900 1.000 H58 H -4.23600 2.71600 -0.77300 1.000 H59 H -3.49200 2.68900 -2.39000 1.000 H60 H -3.95300 0.19300 -2.47600 1.000 H61 H -5.80000 -1.48400 -1.58400 1.000 H62 H -7.69000 0.87700 -1.56500 1.000 H63 H -7.92100 0.07900 -3.80600 1.000 H64 H -6.07900 2.33800 -2.34200 1.000 H65 H -6.43400 1.42800 -4.52300 1.000 H66 H -6.47600 0.67300 1.47100 1.000 H67 H -9.36800 -4.63600 -0.94600 1.000 H68 H -10.65100 -3.47600 3.27400 1.000 H69 H -9.78200 -2.09000 3.65900 1.000