# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JIL' 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 4.01600 3.72700 0.05400 1.000 C1 C 4.54900 2.66000 -0.73300 1.000 C2 C 5.93500 2.22100 -0.20100 1.000 C3 C 5.63000 0.99700 0.68400 1.000 O4 O 4.20400 0.81300 0.68100 1.000 C5 C 3.70900 1.36900 -0.55600 1.000 C6 C 2.22100 1.70600 -0.43800 1.000 S7 S 1.27000 0.17600 -0.23200 1.000 C8 C -0.44000 0.77100 -0.11200 1.000 C9 C -1.38300 -0.41900 0.06800 1.000 N10 N -2.76800 0.06300 0.16500 1.000 C11 C -3.70400 -1.05500 0.33800 1.000 C12 C -5.13200 -0.51500 0.43500 1.000 N13 N -5.42600 0.31700 -0.74300 1.000 C14 C -6.68100 1.05000 -0.54600 1.000 C15 C -7.78800 0.10500 -0.15800 1.000 C16 C -9.10000 0.53600 -0.28800 1.000 C17 C -10.14600 -0.29600 0.05900 1.000 N18 N -11.54300 0.17100 -0.08300 1.000 O19 O -11.77200 1.29100 -0.50600 1.000 O20 O -12.46500 -0.56300 0.22400 1.000 C21 C -9.88600 -1.56500 0.53900 1.000 C22 C -8.58000 -1.99700 0.66700 1.000 C23 C -7.52900 -1.16300 0.31800 1.000 C24 C -6.12200 -1.68000 0.46600 1.000 N25 N 6.28600 -0.19200 0.13400 1.000 C26 C 7.58200 -0.58300 0.36300 1.000 C27 C 7.76300 -1.77000 -0.36600 1.000 N28 N 6.59100 -2.03700 -0.99100 1.000 C29 C 5.72100 -1.11500 -0.69400 1.000 C30 C 9.01900 -2.39700 -0.31100 1.000 N31 N 9.25700 -3.56800 -1.00900 1.000 N32 N 9.97400 -1.83900 0.42600 1.000 C33 C 9.75600 -0.72100 1.09500 1.000 N34 N 8.59600 -0.09900 1.07300 1.000 O35 O 6.52700 3.26400 0.57500 1.000 H36 H 4.55600 4.52900 0.04700 1.000 H37 H 4.60800 2.94500 -1.78300 1.000 H38 H 6.58900 1.94100 -1.02700 1.000 H39 H 5.97800 1.17900 1.70100 1.000 H40 H 3.88400 0.68100 -1.38300 1.000 H41 H 2.06200 2.35200 0.42600 1.000 H42 H 1.89300 2.22000 -1.34100 1.000 H43 H -0.53200 1.44100 0.74300 1.000 H44 H -0.70200 1.30900 -1.02400 1.000 H45 H -1.29100 -1.08800 -0.78800 1.000 H46 H -1.12100 -0.95600 0.97900 1.000 H47 H -2.86500 0.73500 0.91100 1.000 H48 H -3.62800 -1.72900 -0.51600 1.000 H49 H -3.45800 -1.59700 1.25200 1.000 H50 H -5.23700 0.08300 1.34100 1.000 H51 H -4.66500 0.95000 -0.93800 1.000 H52 H -6.54600 1.78900 0.24400 1.000 H53 H -6.95000 1.55900 -1.47100 1.000 H54 H -9.30500 1.52800 -0.66200 1.000 H55 H -10.70100 -2.21800 0.81300 1.000 H56 H -8.37700 -2.98900 1.04300 1.000 H57 H -5.89900 -2.36500 -0.35200 1.000 H58 H -6.02800 -2.20900 1.41400 1.000 H59 H 4.70300 -1.08500 -1.05300 1.000 H60 H 8.55200 -3.96600 -1.54400 1.000 H61 H 10.12800 -3.99200 -0.96300 1.000 H62 H 10.56000 -0.30200 1.68200 1.000 H63 H 6.68700 4.08000 0.08100 1.000