# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0K9' 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 -5.29900 4.03700 -1.82300 1.000 C1 C -5.53000 4.78900 -0.50000 1.000 C2 C -4.51100 3.82700 0.13600 1.000 C3 C -4.88100 2.83200 -0.97200 1.000 C4 C -3.68100 2.07000 -1.53700 1.000 O5 O -5.95700 1.96300 -0.63700 1.000 C6 C -5.65700 0.81700 0.02900 1.000 N7 N -6.65500 0.14100 0.58900 1.000 C8 C -6.45600 -0.98400 1.24400 1.000 C9 C -5.18500 -1.50900 1.37600 1.000 C10 C -4.96600 -2.79900 2.12400 1.000 C11 C -5.15500 -3.98000 1.17000 1.000 C12 C -6.53800 -3.89400 0.52000 1.000 C13 C -4.07800 -3.93700 0.08400 1.000 C14 C -5.04000 -5.29000 1.95100 1.000 C15 C -4.11400 -0.83300 0.81100 1.000 C16 C -4.35700 0.35200 0.13100 1.000 C17 C -3.18900 1.09300 -0.46500 1.000 N18 N -2.25900 0.13100 -1.07200 1.000 C19 C -1.05900 -0.03600 -0.24200 1.000 C20 C -0.03200 1.03700 -0.60800 1.000 O21 O -0.58800 2.33100 -0.36400 1.000 C22 C 1.22400 0.85300 0.24600 1.000 N23 N 1.84800 -0.43300 -0.07300 1.000 C24 C 2.25700 -0.69000 -1.33100 1.000 O25 O 2.20000 0.17800 -2.17700 1.000 C26 C 2.78700 -2.05500 -1.68800 1.000 C27 C 1.65200 -3.07800 -1.61200 1.000 O28 O 3.31600 -2.02800 -3.01500 1.000 C29 C 4.45100 -2.87600 -3.20500 1.000 C30 C 2.21100 1.98500 -0.04800 1.000 C31 C 3.39300 1.87400 0.87900 1.000 C32 C 4.49300 1.12900 0.50700 1.000 C33 C 3.37600 2.52500 2.10100 1.000 C34 C 4.45800 2.42800 2.95700 1.000 C35 C 5.56200 1.68200 2.59800 1.000 C36 C 5.58800 1.02800 1.36600 1.000 C37 C 6.76900 0.23100 0.97300 1.000 N38 N 7.84300 0.06700 1.69100 1.000 C39 C 8.79600 -0.67700 1.17900 1.000 C40 C 8.55000 -1.18600 -0.03400 1.000 S41 S 6.94800 -0.65400 -0.54000 1.000 H42 H -6.21100 3.87200 -2.39700 1.000 H43 H -4.48900 4.44900 -2.42400 1.000 H44 H -5.19500 5.82600 -0.52300 1.000 H45 H -6.54000 4.67900 -0.10600 1.000 H46 H -3.48200 4.18000 0.07900 1.000 H47 H -4.79100 3.49300 1.13500 1.000 H48 H -3.98200 1.51800 -2.42800 1.000 H49 H -2.88600 2.77100 -1.79000 1.000 H50 H -7.29500 -1.50100 1.68400 1.000 H51 H -3.95400 -2.81700 2.52800 1.000 H52 H -5.68400 -2.87200 2.94000 1.000 H53 H -6.67300 -4.73500 -0.16000 1.000 H54 H -7.30500 -3.92500 1.29300 1.000 H55 H -6.62000 -2.96100 -0.03600 1.000 H56 H -3.09800 -4.07700 0.53900 1.000 H57 H -4.26000 -4.73100 -0.64000 1.000 H58 H -4.10900 -2.97100 -0.42100 1.000 H59 H -4.02700 -5.39300 2.34100 1.000 H60 H -5.74800 -5.28400 2.77900 1.000 H61 H -5.26100 -6.12800 1.29000 1.000 H62 H -3.11000 -1.22100 0.90000 1.000 H63 H -2.67400 1.64600 0.32000 1.000 H64 H -2.71200 -0.75600 -1.23500 1.000 H65 H -1.32800 0.06200 0.81000 1.000 H66 H -0.63100 -1.02300 -0.41700 1.000 H67 H 0.22800 0.94600 -1.66200 1.000 H68 H -0.84400 2.48300 0.55600 1.000 H69 H 0.95200 0.87300 1.30200 1.000 H70 H 1.96600 -1.10000 0.62100 1.000 H71 H 3.57500 -2.33300 -0.98800 1.000 H72 H 2.05200 -4.07700 -1.78300 1.000 H73 H 1.19000 -3.03600 -0.62500 1.000 H74 H 0.90500 -2.85000 -2.37200 1.000 H75 H 5.28100 -2.51400 -2.59800 1.000 H76 H 4.19900 -3.89300 -2.90500 1.000 H77 H 4.73900 -2.86800 -4.25600 1.000 H78 H 2.55100 1.91200 -1.08100 1.000 H79 H 1.71800 2.94500 0.10500 1.000 H80 H 4.50600 0.62500 -0.44900 1.000 H81 H 2.51500 3.11100 2.38600 1.000 H82 H 4.43900 2.93800 3.90900 1.000 H83 H 6.40600 1.60800 3.26800 1.000 H84 H 9.72000 -0.86700 1.70400 1.000 H85 H 9.21700 -1.81600 -0.60300 1.000