# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JG1' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy N0 N 6.88000 0.94800 0.00200 1.000 C1 C 6.34400 -0.26700 0.00000 1.000 C2 C 7.15900 -1.40000 -0.00200 1.000 C3 C 8.53400 -1.24000 -0.00200 1.000 C4 C 9.05000 0.04800 -0.00000 1.000 C5 C 8.18400 1.12800 0.00200 1.000 C6 C 4.87400 -0.42000 0.00100 1.000 N7 N 4.20900 -1.56000 0.00500 1.000 N8 N 2.94600 -1.31500 0.00400 1.000 C9 C 2.75500 -0.01100 -0.00000 1.000 O10 O 3.97100 0.57500 0.00400 1.000 C11 C 1.46100 0.67600 -0.00300 1.000 C12 C 0.18400 -0.12400 0.00000 1.000 O13 O 1.41800 1.88800 -0.00700 1.000 C14 C -1.01400 0.82900 -0.00300 1.000 C15 C -2.31100 0.01700 -0.00000 1.000 C16 C -3.50800 0.97000 -0.00400 1.000 C17 C -4.80500 0.15800 -0.00100 1.000 C18 C -6.00300 1.11100 -0.00400 1.000 C19 C -7.28000 0.31100 -0.00100 1.000 C20 C -7.86300 -0.06500 -1.19700 1.000 C21 C -9.03500 -0.79800 -1.19400 1.000 C22 C -9.62400 -1.15500 0.00400 1.000 C23 C -9.04000 -0.78000 1.20000 1.000 C24 C -7.86600 -0.05100 1.19700 1.000 H25 H 6.72200 -2.38800 -0.00300 1.000 H26 H 9.19000 -2.09800 -0.00400 1.000 H27 H 10.11900 0.20600 -0.00000 1.000 H28 H 8.58300 2.13100 0.00400 1.000 H29 H 0.14800 -0.75500 -0.88700 1.000 H30 H 0.14800 -0.74800 0.89300 1.000 H31 H -0.97800 1.46100 0.88400 1.000 H32 H -0.97800 1.45400 -0.89600 1.000 H33 H -2.34600 -0.61400 -0.88800 1.000 H34 H -2.34600 -0.60800 0.89200 1.000 H35 H -3.47300 1.60100 0.88400 1.000 H36 H -3.47300 1.59500 -0.89600 1.000 H37 H -4.84100 -0.47400 -0.88800 1.000 H38 H -4.84100 -0.46700 0.89200 1.000 H39 H -5.96700 1.74200 0.88300 1.000 H40 H -5.96700 1.73500 -0.89700 1.000 H41 H -7.40300 0.21500 -2.13400 1.000 H42 H -9.49100 -1.09100 -2.12900 1.000 H43 H -10.54000 -1.72800 0.00600 1.000 H44 H -9.50100 -1.05900 2.13600 1.000 H45 H -7.40900 0.23900 2.13100 1.000