# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CS9' 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 -4.73500 1.60000 -1.15200 1.000 C1 C -3.62100 2.03000 -1.84500 1.000 C2 C -2.38200 1.47900 -1.58300 1.000 C3 C -2.24900 0.48200 -0.61400 1.000 C4 C -3.36900 0.04400 0.08900 1.000 C5 C -4.61600 0.60500 -0.18000 1.000 C6 C -5.81000 0.14700 0.56200 1.000 N7 N -6.66100 1.04800 1.09100 1.000 O8 O -6.02400 -1.04300 0.69500 1.000 C9 C -7.76300 0.60000 1.94600 1.000 C10 C -7.29700 0.56700 3.40300 1.000 C11 C -8.44800 0.09900 4.29700 1.000 C12 C -6.48500 2.47500 0.81100 1.000 C13 C -7.44900 2.89900 -0.29900 1.000 C14 C -7.16400 4.35000 -0.69400 1.000 C15 C -3.75700 3.10400 -2.89300 1.000 C16 C -0.92200 -0.10800 -0.33500 1.000 N17 N 0.16100 0.31600 -1.01700 1.000 O18 O -0.80700 -0.97500 0.50900 1.000 C19 C 1.47500 -0.26800 -0.74000 1.000 C20 C 2.56900 0.73100 -1.12600 1.000 C21 C 1.64500 -1.55000 -1.55800 1.000 O22 O 2.54000 0.94700 -2.53800 1.000 C23 C 0.64700 -2.57800 -1.09200 1.000 C24 C 0.97800 -3.45200 -0.07400 1.000 C25 C 0.06100 -4.39700 0.35400 1.000 C26 C -1.18800 -4.46600 -0.23800 1.000 C27 C -1.51900 -3.59100 -1.25800 1.000 C28 C -0.60200 -2.64400 -1.68100 1.000 F29 F 0.38600 -5.25100 1.34900 1.000 F30 F -2.73800 -3.65800 -1.83700 1.000 C31 C 6.15900 0.77100 -0.03400 1.000 C32 C 5.35600 0.31600 1.20300 1.000 N33 N 3.99800 -0.02600 0.74100 1.000 C34 C 5.05000 1.20200 -1.03100 1.000 C35 C 3.93500 0.17200 -0.72300 1.000 O36 O 7.00400 1.87600 0.29000 1.000 C37 C 8.25500 1.58600 0.73700 1.000 C38 C 8.65000 0.26500 0.88700 1.000 C39 C 9.92100 -0.02700 1.34000 1.000 C40 C 10.80000 0.99600 1.64500 1.000 C41 C 10.40800 2.31400 1.49700 1.000 C42 C 9.14000 2.61100 1.03800 1.000 H43 H -5.70000 2.03900 -1.35800 1.000 H44 H -1.51500 1.81900 -2.12900 1.000 H45 H -3.27100 -0.72700 0.84000 1.000 H46 H -8.60200 1.28900 1.84900 1.000 H47 H -8.07600 -0.39900 1.64200 1.000 H48 H -6.45800 -0.12300 3.50100 1.000 H49 H -6.98400 1.56500 3.70700 1.000 H50 H -9.28600 0.78800 4.19900 1.000 H51 H -8.76100 -0.90000 3.99200 1.000 H52 H -8.11600 0.07500 5.33400 1.000 H53 H -6.69300 3.05000 1.71200 1.000 H54 H -5.45900 2.65800 0.49100 1.000 H55 H -7.31200 2.25300 -1.16600 1.000 H56 H -8.47500 2.81400 0.05800 1.000 H57 H -7.85100 4.65200 -1.48500 1.000 H58 H -7.30100 4.99600 0.17300 1.000 H59 H -6.13800 4.43500 -1.05200 1.000 H60 H -3.62200 4.08200 -2.43100 1.000 H61 H -3.00000 2.95900 -3.66300 1.000 H62 H -4.74800 3.04900 -3.34300 1.000 H63 H 0.06900 1.00900 -1.69000 1.000 H64 H 1.55400 -0.50100 0.32200 1.000 H65 H 2.39600 1.67600 -0.61000 1.000 H66 H 1.47900 -1.33300 -2.61300 1.000 H67 H 2.65500 -1.93700 -1.42100 1.000 H68 H 2.68700 0.14800 -3.06100 1.000 H69 H 1.95300 -3.39700 0.38800 1.000 H70 H -1.90400 -5.20300 0.09500 1.000 H71 H -0.86200 -1.95800 -2.47400 1.000 H72 H 6.74400 -0.05400 -0.44200 1.000 H73 H 5.82700 -0.55900 1.65000 1.000 H74 H 5.30600 1.12600 1.93100 1.000 H75 H 3.76100 -0.97600 0.98800 1.000 H76 H 4.71300 2.21700 -0.82400 1.000 H77 H 5.39400 1.10900 -2.06100 1.000 H78 H 4.12800 -0.76600 -1.24200 1.000 H79 H 7.96400 -0.53500 0.64900 1.000 H80 H 10.22900 -1.05600 1.45700 1.000 H81 H 11.79300 0.76600 2.00000 1.000 H82 H 11.09600 3.11100 1.73700 1.000 H83 H 8.83600 3.64100 0.91800 1.000