# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CJV' 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 -10.17200 -2.81200 0.19500 1.000 C1 C -9.13000 -3.42500 0.07100 1.000 O2 O -9.10600 -4.58000 -0.62000 1.000 C3 C -10.36300 -5.03400 -1.18900 1.000 N4 N -7.99600 -2.94500 0.62000 1.000 C5 C -8.02000 -1.68500 1.36700 1.000 C6 C -8.39800 -1.95100 2.83800 1.000 C7 C -7.03600 -2.04500 3.57000 1.000 C8 C -6.19200 -0.95800 2.86000 1.000 C9 C -6.61700 -1.05400 1.38000 1.000 C10 C -6.66400 0.34200 0.75700 1.000 C11 C -7.69900 1.14500 1.42800 1.000 N12 N -8.49800 1.76400 1.94600 1.000 C13 C -6.99100 0.22700 -0.71000 1.000 C14 C -7.41100 1.33900 -1.41400 1.000 C15 C -7.71100 1.23300 -2.76100 1.000 F16 F -8.12100 2.32000 -3.45000 1.000 C17 C -7.59000 0.01100 -3.40200 1.000 C18 C -7.16900 -1.10000 -2.69600 1.000 C19 C -6.86500 -0.99100 -1.35200 1.000 C20 C -5.30400 1.02200 0.92400 1.000 C21 C -5.38800 2.46600 0.42300 1.000 C22 C -4.01000 3.12200 0.53700 1.000 C23 C -4.25100 0.26800 0.10700 1.000 C24 C -2.90500 0.98700 0.23000 1.000 N25 N -3.03900 2.36400 -0.26300 1.000 C26 C -1.73600 3.04200 -0.28900 1.000 C27 C -0.83100 2.36600 -1.32200 1.000 C28 C 0.52100 3.07500 -1.51900 1.000 C29 C -0.01800 1.18700 -0.75600 1.000 N30 N 1.11600 1.72100 -1.54200 1.000 C31 C 2.30000 1.68100 -0.80300 1.000 C32 C 2.63300 0.54100 -0.08200 1.000 C33 C 3.80500 0.50500 0.64800 1.000 C34 C 3.15100 2.77900 -0.79100 1.000 C35 C 4.32100 2.73700 -0.05900 1.000 C36 C 4.64700 1.60200 0.66200 1.000 S37 S 6.14100 1.55200 1.59500 1.000 O38 O 6.41000 2.91400 1.89900 1.000 O39 O 5.87900 0.60900 2.62500 1.000 C40 C 7.37700 0.90300 0.43600 1.000 C41 C 7.30300 -0.62200 0.24200 1.000 N42 N 8.77800 -0.59900 0.29800 1.000 C43 C 8.75500 0.65500 1.07500 1.000 C44 C 9.75400 -1.40200 -0.17200 1.000 O45 O 9.46800 -2.40000 -0.79900 1.000 C46 C 11.19900 -1.05800 0.08100 1.000 C47 C 12.09500 -2.12300 -0.55400 1.000 C48 C 13.56200 -1.77500 -0.29700 1.000 N49 N 14.42300 -2.79700 -0.90700 1.000 C50 C 14.31000 -2.77500 -2.37100 1.000 C51 C 15.82000 -2.63100 -0.48400 1.000 H52 H -10.20500 -5.97300 -1.71800 1.000 H53 H -11.09000 -5.18500 -0.39100 1.000 H54 H -10.73900 -4.28300 -1.88500 1.000 H55 H -7.16400 -3.43400 0.52000 1.000 H56 H -8.73500 -0.99800 0.91500 1.000 H57 H -8.98800 -1.12500 3.23500 1.000 H58 H -8.94800 -2.88800 2.92800 1.000 H59 H -7.15000 -1.81500 4.62900 1.000 H60 H -6.59300 -3.03200 3.43500 1.000 H61 H -6.42500 0.02900 3.26100 1.000 H62 H -5.12800 -1.17200 2.96600 1.000 H63 H -5.91800 -1.68500 0.83100 1.000 H64 H -7.50500 2.29200 -0.91300 1.000 H65 H -7.82800 -0.07400 -4.45200 1.000 H66 H -7.07500 -2.05300 -3.19500 1.000 H67 H -6.53600 -1.86000 -0.80100 1.000 H68 H -5.02100 1.01600 1.97700 1.000 H69 H -5.70900 2.47200 -0.61800 1.000 H70 H -6.10500 3.02000 1.02900 1.000 H71 H -4.06300 4.14600 0.16700 1.000 H72 H -3.69500 3.12800 1.58000 1.000 H73 H -4.15500 -0.75000 0.48700 1.000 H74 H -4.55400 0.23900 -0.93900 1.000 H75 H -2.59600 1.00300 1.27500 1.000 H76 H -2.15700 0.46000 -0.36300 1.000 H77 H -1.87600 4.08800 -0.55900 1.000 H78 H -1.27300 2.97900 0.69600 1.000 H79 H -1.34600 2.13800 -2.25400 1.000 H80 H 0.60400 3.60800 -2.46600 1.000 H81 H 0.83100 3.67600 -0.66300 1.000 H82 H 0.13400 1.23600 0.32200 1.000 H83 H -0.36600 0.21200 -1.09400 1.000 H84 H 1.97600 -0.31600 -0.09200 1.000 H85 H 4.06400 -0.38100 1.20900 1.000 H86 H 2.89700 3.66500 -1.35400 1.000 H87 H 4.98300 3.59000 -0.04900 1.000 H88 H 7.42000 1.46400 -0.49800 1.000 H89 H 6.84000 -1.15000 1.07600 1.000 H90 H 6.90500 -0.92300 -0.72700 1.000 H91 H 9.51600 1.37400 0.77100 1.000 H92 H 8.71900 0.50300 2.15300 1.000 H93 H 11.42400 -0.08600 -0.35700 1.000 H94 H 11.38100 -1.02400 1.15500 1.000 H95 H 11.87000 -3.09600 -0.11600 1.000 H96 H 11.91300 -2.15800 -1.62800 1.000 H97 H 13.78700 -0.80200 -0.73500 1.000 H98 H 13.74500 -1.74000 0.77700 1.000 H99 H 14.61200 -1.79600 -2.74400 1.000 H100 H 14.95700 -3.54200 -2.79700 1.000 H101 H 13.27700 -2.97100 -2.65900 1.000 H102 H 15.88400 -2.72100 0.60100 1.000 H103 H 16.43500 -3.40000 -0.95000 1.000 H104 H 16.17700 -1.64700 -0.78800 1.000