# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JIA' 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 4.65000 2.97800 -1.09400 1.000 C1 C 6.29800 1.23000 2.14800 1.000 C2 C -0.41500 -3.08900 0.64000 1.000 C3 C -1.50100 -2.11000 1.09300 1.000 C4 C -1.34400 -0.78900 0.33800 1.000 C5 C 0.03500 -0.19400 0.63200 1.000 C6 C 4.64100 1.45000 -1.17900 1.000 C7 C 3.28000 0.97300 -1.69100 1.000 C8 C 1.12000 -1.17300 0.17900 1.000 C9 C 4.89100 0.85900 0.21300 1.000 C10 C -5.29800 -0.84600 -2.07100 1.000 C11 C 3.43500 -1.06300 -0.43300 1.000 C12 C 0.96300 -2.49400 0.93400 1.000 C13 C -2.70800 1.10000 -0.22300 1.000 C14 C -3.58500 2.17900 0.41700 1.000 C15 C -4.88200 1.54000 0.92100 1.000 C16 C 4.80300 -0.66800 0.13000 1.000 C17 C -5.58200 0.84100 -0.24900 1.000 C18 C -4.62800 -0.18600 -0.86400 1.000 N19 N -2.86800 2.78900 1.54600 1.000 N20 N -4.43200 -1.91400 -2.58800 1.000 N21 N -2.82400 -2.68200 0.81000 1.000 N22 N 2.00500 -3.43400 0.49900 1.000 N23 N 6.22700 1.25000 0.68100 1.000 O24 O -6.75700 0.17900 0.22300 1.000 O25 O -5.73800 2.55200 1.45500 1.000 O26 O 4.96200 -1.22700 1.43500 1.000 O27 O 2.40800 -0.61700 0.45400 1.000 O28 O 3.25500 -0.45500 -1.71400 1.000 O29 O -3.42900 0.47000 -1.28300 1.000 O30 O 0.18200 1.04000 -0.07300 1.000 O31 O -2.35700 0.12500 0.76100 1.000 O32 O 5.66700 1.01600 -2.07400 1.000 H33 H 3.86800 3.30800 -0.40900 1.000 H34 H 5.61900 3.31600 -0.72900 1.000 H35 H 4.46700 3.39700 -2.08300 1.000 H36 H 5.56700 1.92700 2.55600 1.000 H37 H 6.08200 0.22400 2.50800 1.000 H38 H 7.29800 1.52300 2.46700 1.000 H39 H -0.52800 -4.03000 1.17800 1.000 H40 H -0.51200 -3.26900 -0.43100 1.000 H41 H -1.40400 -1.93100 2.16300 1.000 H42 H -1.44000 -0.96900 -0.73300 1.000 H43 H 0.13200 -0.01400 1.70300 1.000 H44 H 2.49400 1.34000 -1.03000 1.000 H45 H 3.11600 1.35600 -2.69800 1.000 H46 H 1.02300 -1.35200 -0.89100 1.000 H47 H 4.13700 1.23000 0.90700 1.000 H48 H -6.25600 -1.26900 -1.76900 1.000 H49 H -5.45900 -0.10000 -2.85000 1.000 H50 H 3.38300 -2.14700 -0.53400 1.000 H51 H 1.06000 -2.31400 2.00500 1.000 H52 H -1.80200 1.55700 -0.62200 1.000 H53 H -3.81900 2.94500 -0.32200 1.000 H54 H -4.65200 0.80900 1.69600 1.000 H55 H 5.58900 -1.04300 -0.52500 1.000 H56 H -5.85800 1.58000 -1.00200 1.000 H57 H -4.38600 -0.94700 -0.12200 1.000 H58 H -2.00500 3.21300 1.23900 1.000 H59 H -3.45000 3.45900 2.02500 1.000 H60 H -4.85300 -2.36600 -3.38700 1.000 H61 H -3.51600 -1.55900 -2.81500 1.000 H62 H -2.91600 -3.60100 1.21600 1.000 H63 H -3.55900 -2.06900 1.13200 1.000 H64 H 1.92300 -4.31500 0.98400 1.000 H65 H 1.97700 -3.56700 -0.50000 1.000 H66 H 6.48700 2.15500 0.31800 1.000 H67 H -7.40500 0.77100 0.63100 1.000 H68 H -6.58000 2.21700 1.79300 1.000 H69 H 4.91700 -2.19300 1.45700 1.000 H70 H 0.98900 1.52400 0.14600 1.000 H71 H 5.57000 1.35200 -2.97500 1.000