# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JG7' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cl0 Cl 1.44500 -2.81000 0.08700 1.000 C1 C 2.49300 -1.57800 0.71600 1.000 C2 C 3.73400 -1.36900 0.14500 1.000 C3 C 4.57200 -0.38300 0.64900 1.000 N4 N 5.82600 -0.16900 0.07400 1.000 C5 C 6.54200 0.91600 0.76000 1.000 C6 C 7.93900 1.06600 0.15300 1.000 C7 C 5.70600 0.11100 -1.36400 1.000 C8 C 7.10300 0.26000 -1.97100 1.000 N9 N 7.81900 1.34500 -1.28500 1.000 C10 C 9.13800 1.57000 -1.89000 1.000 C11 C 8.96200 2.09900 -3.31500 1.000 C12 C 4.15900 0.39100 1.72700 1.000 C13 C 2.91800 0.17700 2.29300 1.000 C14 C 2.08300 -0.80100 1.78600 1.000 S15 S 0.49700 -1.06600 2.50700 1.000 O16 O 0.35400 -2.47900 2.53200 1.000 O17 O 0.53000 -0.31200 3.71100 1.000 C18 C -0.66600 -0.32800 1.32600 1.000 C19 C -0.86400 -1.24800 0.09500 1.000 C20 C -2.10100 -0.28100 1.91400 1.000 C21 C -2.99200 -0.30600 0.65500 1.000 C22 C -3.40600 1.09700 0.29200 1.000 O23 O -3.08200 1.56700 -0.77700 1.000 N24 N -4.13700 1.82800 1.15600 1.000 C25 C -4.54000 3.19200 0.80400 1.000 C26 C -5.36800 3.97100 1.82700 1.000 C27 C -6.02700 3.44600 0.55000 1.000 C28 C -3.54900 3.96800 -0.02500 1.000 N29 N -2.30400 3.67700 0.02600 1.000 N30 N -2.19300 -0.88900 -0.43300 1.000 C31 C -2.60600 -1.06400 -1.70400 1.000 O32 O -1.83500 -1.48600 -2.54000 1.000 C33 C -4.02700 -0.73800 -2.08600 1.000 C34 C -5.10900 -1.47700 -1.29700 1.000 F35 F -5.21500 -0.92100 -0.01700 1.000 F36 F -6.33500 -1.35700 -1.96000 1.000 F37 F -4.76700 -2.83000 -1.19000 1.000 C38 C -4.31100 -0.43300 -3.55800 1.000 C39 C -4.32900 0.69600 -2.52500 1.000 H40 H -3.89000 4.77100 -0.66300 1.000 H41 H 2.59700 0.77900 3.13100 1.000 H42 H 4.80800 1.15800 2.12100 1.000 H43 H 4.05200 -1.97200 -0.69300 1.000 H44 H 5.99100 1.84900 0.63800 1.000 H45 H 6.62900 0.68100 1.82000 1.000 H46 H 5.18400 -0.71300 -1.85200 1.000 H47 H 5.14500 1.03400 -1.51000 1.000 H48 H 8.46100 1.88900 0.64100 1.000 H49 H 8.49900 0.14200 0.29800 1.000 H50 H 7.65400 -0.67300 -1.85000 1.000 H51 H 7.01500 0.49600 -3.03200 1.000 H52 H 9.69000 2.30000 -1.29700 1.000 H53 H 9.69100 0.63100 -1.91600 1.000 H54 H 8.41000 3.03800 -3.28900 1.000 H55 H 9.94100 2.26600 -3.76400 1.000 H56 H 8.41100 1.36900 -3.90800 1.000 H57 H -0.33400 0.66500 1.02300 1.000 H58 H -0.09400 -1.05400 -0.65100 1.000 H59 H -0.84700 -2.29500 0.39700 1.000 H60 H -2.29000 -1.15400 2.53900 1.000 H61 H -2.25600 0.63900 2.47800 1.000 H62 H -3.87500 -0.91800 0.83800 1.000 H63 H -4.39600 1.45200 2.01200 1.000 H64 H -5.61400 3.46900 2.76300 1.000 H65 H -5.19700 5.04500 1.90100 1.000 H66 H -6.28900 4.17500 -0.21700 1.000 H67 H -6.70600 2.59900 0.64500 1.000 H68 H -1.66700 4.17700 -0.50700 1.000 H69 H -3.47000 -0.46900 -4.25100 1.000 H70 H -5.26800 -0.75900 -3.96400 1.000 H71 H -5.29800 1.11300 -2.25200 1.000 H72 H -3.50000 1.40400 -2.53800 1.000