# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0R4' 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 -3.67900 3.44400 1.09700 1.000 C1 C -4.14100 4.35900 0.44900 1.000 C2 C -3.45300 5.70000 0.44000 1.000 N3 N -5.26800 4.17600 -0.26700 1.000 C4 C -5.84800 2.90500 -0.34500 1.000 C5 C -7.22900 2.77600 -0.43500 1.000 C6 C -7.80600 1.52200 -0.51200 1.000 C7 C -7.01500 0.39100 -0.50100 1.000 C8 C -5.04600 1.77500 -0.33900 1.000 C9 C -5.62800 0.51100 -0.41200 1.000 C10 C -4.77600 -0.70200 -0.40000 1.000 C11 C -5.36500 -1.95600 -0.58300 1.000 C12 C -4.58200 -3.07900 -0.57200 1.000 N13 N -3.46900 -0.57800 -0.22000 1.000 C14 C -2.67400 -1.63400 -0.20200 1.000 C15 C -3.20300 -2.92800 -0.37500 1.000 N16 N -2.16900 -3.80000 -0.31100 1.000 C17 C -1.05100 -3.14300 -0.11300 1.000 C18 C 0.28500 -3.75800 0.01000 1.000 C19 C 0.48900 -4.86200 0.85400 1.000 N20 N -0.57200 -5.38000 1.57900 1.000 N21 N 1.68900 -5.41000 0.96000 1.000 C22 C 2.72600 -4.94800 0.28800 1.000 C23 C 2.60300 -3.86500 -0.56200 1.000 C24 C 1.36900 -3.25500 -0.71600 1.000 N25 N -1.31200 -1.79800 -0.03800 1.000 C26 C -0.37100 -0.77900 0.16500 1.000 C27 C 0.31000 -0.69300 1.37200 1.000 C28 C 1.23700 0.31200 1.56900 1.000 C29 C -0.11500 0.14200 -0.84200 1.000 C30 C 0.81400 1.14400 -0.63800 1.000 C31 C 1.48700 1.23100 0.56700 1.000 C32 C 2.49900 2.32600 0.78500 1.000 N33 N 3.82000 1.86400 0.35400 1.000 C34 C 4.88700 2.68100 0.45700 1.000 O35 O 4.75300 3.80200 0.90800 1.000 C36 C 6.22000 2.21400 0.02200 1.000 C37 C 6.37700 0.92900 -0.50100 1.000 C38 C 7.32700 3.05800 0.12700 1.000 C39 C 8.56900 2.61700 -0.28000 1.000 C40 C 8.72100 1.34200 -0.79300 1.000 C41 C 7.62600 0.50000 -0.90600 1.000 F42 F 7.78000 -0.74300 -1.41200 1.000 H43 H -2.72800 5.73100 -0.37300 1.000 H44 H -4.19300 6.48800 0.29800 1.000 H45 H -2.93900 5.85100 1.39000 1.000 H46 H -5.67600 4.92500 -0.72900 1.000 H47 H -7.85300 3.65700 -0.44400 1.000 H48 H -8.88000 1.42700 -0.58100 1.000 H49 H -7.46900 -0.58700 -0.55800 1.000 H50 H -3.97200 1.87300 -0.27400 1.000 H51 H -6.43100 -2.03900 -0.73200 1.000 H52 H -5.01600 -4.05700 -0.71100 1.000 H53 H -1.43100 -4.93100 1.56900 1.000 H54 H -0.45400 -6.19200 2.09800 1.000 H55 H 3.68900 -5.42200 0.40700 1.000 H56 H 3.46200 -3.49900 -1.10500 1.000 H57 H 1.24900 -2.40800 -1.37500 1.000 H58 H 0.11600 -1.41000 2.15500 1.000 H59 H 1.76700 0.38000 2.50800 1.000 H60 H -0.64000 0.07400 -1.78300 1.000 H61 H 1.01400 1.86100 -1.42100 1.000 H62 H 2.21400 3.20500 0.20600 1.000 H63 H 2.53200 2.58400 1.84400 1.000 H64 H 3.92700 0.96900 -0.00500 1.000 H65 H 5.52400 0.27300 -0.58900 1.000 H66 H 7.21100 4.05500 0.52700 1.000 H67 H 9.42600 3.27000 -0.19900 1.000 H68 H 9.69600 1.00200 -1.11000 1.000