# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CNE' 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 2.41500 0.24000 7.26700 1.000 C1 C 2.45300 -0.23600 5.96100 1.000 C2 C 1.32800 -0.82800 5.39900 1.000 C3 C 0.17300 -0.95500 6.13700 1.000 C4 C 0.12900 -0.47700 7.45200 1.000 C5 C 1.26400 0.12300 8.01100 1.000 C6 C -1.10200 -0.60400 8.24200 1.000 C7 C -1.14200 -0.14100 9.51100 1.000 C8 C -2.33100 -0.26400 10.27300 1.000 O9 O -2.37100 0.19700 11.54000 1.000 O10 O -3.31500 -0.78600 9.78500 1.000 C11 C -3.68400 -0.06800 12.03600 1.000 O12 O 3.59200 -0.11800 5.23100 1.000 C13 C 4.55400 0.52700 6.06700 1.000 C14 C 5.86700 0.69200 5.30000 1.000 C15 C 1.37700 -1.34200 3.98300 1.000 C16 C 0.95100 -0.24900 3.03700 1.000 N17 N 0.91700 -0.48200 1.71000 1.000 O18 O 0.63900 0.83900 3.47000 1.000 C19 C 0.50400 0.58000 0.79000 1.000 C20 C -0.14700 -0.03000 -0.42200 1.000 C21 C 1.73000 1.38700 0.35900 1.000 C22 C 2.30700 2.12400 1.56800 1.000 C23 C 2.78700 0.44000 -0.21400 1.000 O24 O 0.00700 -1.20800 -0.66500 1.000 N25 N -0.90300 0.73100 -1.23700 1.000 C26 C -1.63400 0.11500 -2.34800 1.000 C27 C -0.97000 0.48000 -3.65000 1.000 C28 C -3.07700 0.62100 -2.35100 1.000 C29 C -3.74200 0.25200 -1.05000 1.000 O30 O -5.00300 0.64400 -0.80600 1.000 O31 O -3.14100 -0.39500 -0.22700 1.000 C32 C -1.03300 -0.46600 -4.82000 1.000 O33 O -0.38700 1.53300 -3.75600 1.000 S34 S -0.14700 0.25200 -6.23000 1.000 C35 C -0.38100 -1.06400 -7.45500 1.000 C36 C 0.29000 -0.67400 -8.74600 1.000 C37 C 1.61200 -1.01900 -8.97000 1.000 C38 C 2.22900 -0.66100 -10.15700 1.000 C39 C 1.52400 0.03900 -11.11800 1.000 C40 C 0.20400 0.38300 -10.89400 1.000 C41 C -0.41400 0.02100 -9.71000 1.000 F42 F 2.30100 -1.70400 -8.03100 1.000 Cl43 Cl -2.07200 0.45300 -9.43100 1.000 H44 H 3.29100 0.70200 7.69700 1.000 H45 H -0.69800 -1.41900 5.70100 1.000 H46 H 1.23500 0.49300 9.02500 1.000 H47 H -1.97600 -1.06700 7.80900 1.000 H48 H -0.26800 0.32100 9.94400 1.000 H49 H -3.76500 0.28900 13.06200 1.000 H50 H -4.41800 0.44400 11.41400 1.000 H51 H -3.87200 -1.14100 12.00900 1.000 H52 H 4.72600 -0.07800 6.95700 1.000 H53 H 4.17900 1.50700 6.36200 1.000 H54 H 6.60100 1.18400 5.93800 1.000 H55 H 6.24100 -0.28800 5.00600 1.000 H56 H 5.69500 1.29700 4.41000 1.000 H57 H 2.39400 -1.65400 3.74400 1.000 H58 H 0.70300 -2.19300 3.88200 1.000 H59 H 1.16700 -1.35300 1.36400 1.000 H60 H -0.20500 1.23800 1.29100 1.000 H61 H 1.43900 2.11000 -0.40200 1.000 H62 H 3.18100 2.69900 1.26100 1.000 H63 H 1.55400 2.79800 1.97700 1.000 H64 H 2.59800 1.40000 2.33000 1.000 H65 H 3.02000 -0.33000 0.51900 1.000 H66 H 2.40400 -0.02400 -1.12100 1.000 H67 H 3.69000 1.00400 -0.44800 1.000 H68 H -0.96300 1.68800 -1.08900 1.000 H69 H -1.62900 -0.96800 -2.22900 1.000 H70 H -3.08200 1.70500 -2.46700 1.000 H71 H -3.62000 0.16500 -3.17900 1.000 H72 H -5.42900 0.40800 0.02800 1.000 H73 H -2.07400 -0.63700 -5.09400 1.000 H74 H -0.57000 -1.41400 -4.54500 1.000 H75 H -1.44700 -1.21200 -7.63000 1.000 H76 H 0.05700 -1.98900 -7.08200 1.000 H77 H 3.26000 -0.92900 -10.33300 1.000 H78 H 2.00500 0.31900 -12.04300 1.000 H79 H -0.34500 0.93100 -11.64500 1.000