# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JG2' 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 6.38500 -0.69700 -1.16100 1.000 O1 O 1.29200 2.73400 0.37100 1.000 C2 C 5.99800 -0.65200 0.10900 1.000 C3 C 6.83000 -1.13100 1.12000 1.000 C4 C 8.06500 -1.65600 0.78200 1.000 C5 C 8.42900 -1.68400 -0.55600 1.000 C6 C 7.55500 -1.19100 -1.50800 1.000 C7 C 4.67500 -0.08800 0.45200 1.000 N8 N 4.16700 0.02600 1.65700 1.000 N9 N 2.99900 0.56100 1.57600 1.000 C10 C 2.72000 0.80800 0.32600 1.000 O11 O 3.76900 0.41100 -0.41200 1.000 C12 C 1.45100 1.43200 -0.19600 1.000 C13 C 0.25600 0.55800 0.19300 1.000 O14 O 1.52100 1.53700 -1.61900 1.000 C15 C -1.03200 1.19200 -0.33600 1.000 C16 C -2.22700 0.31800 0.05200 1.000 C17 C -3.51500 0.95200 -0.47700 1.000 C18 C -4.71000 0.07800 -0.08900 1.000 C19 C -5.99800 0.71100 -0.61800 1.000 C20 C -7.17500 -0.14900 -0.23600 1.000 C21 C -7.59400 -1.16200 -1.07900 1.000 C22 C -8.67300 -1.95100 -0.72800 1.000 C23 C -9.33400 -1.72700 0.46600 1.000 C24 C -8.91400 -0.71600 1.30900 1.000 C25 C -7.83200 0.07000 0.96100 1.000 H26 H 1.23700 2.73900 1.33600 1.000 H27 H 6.51400 -1.09400 2.15200 1.000 H28 H 8.73100 -2.03500 1.54400 1.000 H29 H 9.38700 -2.08700 -0.85200 1.000 H30 H 7.83600 -1.21100 -2.55100 1.000 H31 H 0.37700 -0.43500 -0.24000 1.000 H32 H 0.20200 0.47800 1.27800 1.000 H33 H 1.62900 0.68900 -2.07100 1.000 H34 H -1.15300 2.18500 0.09600 1.000 H35 H -0.97900 1.27200 -1.42200 1.000 H36 H -2.10600 -0.67500 -0.38000 1.000 H37 H -2.28100 0.23800 1.13800 1.000 H38 H -3.63600 1.94500 -0.04500 1.000 H39 H -3.46100 1.03200 -1.56300 1.000 H40 H -4.58900 -0.91500 -0.52100 1.000 H41 H -4.76400 -0.00200 0.99700 1.000 H42 H -6.11900 1.70500 -0.18600 1.000 H43 H -5.94400 0.79100 -1.70400 1.000 H44 H -7.07800 -1.33600 -2.01100 1.000 H45 H -9.00100 -2.74100 -1.38700 1.000 H46 H -10.17700 -2.34300 0.73900 1.000 H47 H -9.43100 -0.54100 2.24100 1.000 H48 H -7.50200 0.85900 1.62100 1.000