# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'J4X' 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 -6.82300 1.96200 0.16500 1.000 C1 C -5.90400 0.94700 0.01000 1.000 N2 N -6.31000 -0.28100 -0.14200 1.000 C3 C -4.45500 1.25200 0.01500 1.000 C4 C -4.02300 2.58000 0.17900 1.000 C5 C -2.70100 2.88400 0.18700 1.000 C6 C -1.74200 1.86500 0.03100 1.000 C7 C -0.37100 2.15900 0.03600 1.000 C8 C 0.55100 1.13600 -0.12000 1.000 C9 C 0.12500 -0.19200 -0.28400 1.000 C10 C -1.20500 -0.50100 -0.29300 1.000 N11 N -1.61300 -1.82400 -0.45700 1.000 C12 C -0.76800 -2.86000 -0.09200 1.000 N13 N -1.11500 -4.10700 -0.37500 1.000 C14 C -0.33100 -5.11900 -0.04000 1.000 C15 C 0.86400 -4.86100 0.61300 1.000 C16 C 1.19500 -3.54500 0.89400 1.000 N17 N 0.36900 -2.57900 0.52700 1.000 C18 C -2.16700 0.52200 -0.13500 1.000 C19 C -3.53700 0.22700 -0.13600 1.000 C20 C 1.99600 1.44500 -0.11300 1.000 O21 O 2.37200 2.59300 0.02800 1.000 N22 N 2.89800 0.45500 -0.26500 1.000 C23 C 4.26500 0.73100 -0.15200 1.000 C24 C 4.69900 1.78300 0.64300 1.000 C25 C 6.04900 2.05300 0.75200 1.000 C26 C 6.96800 1.27600 0.07000 1.000 C27 C 6.53900 0.22800 -0.72300 1.000 C28 C 5.19000 -0.05100 -0.83100 1.000 H29 H -7.77200 1.76200 0.16200 1.000 H30 H -6.52000 2.87700 0.28200 1.000 H31 H -5.66300 -0.99600 -0.25100 1.000 H32 H -4.75300 3.36700 0.29900 1.000 H33 H -2.38300 3.90900 0.31400 1.000 H34 H -0.03500 3.17800 0.16100 1.000 H35 H 0.85700 -0.97600 -0.40400 1.000 H36 H -2.48800 -2.02000 -0.82700 1.000 H37 H -0.61900 -6.13400 -0.27300 1.000 H38 H 1.52200 -5.66800 0.89800 1.000 H39 H 2.11900 -3.31000 1.40200 1.000 H40 H -3.87400 -0.79100 -0.25800 1.000 H41 H 2.60000 -0.44900 -0.45100 1.000 H42 H 3.98200 2.39100 1.17600 1.000 H43 H 6.38800 2.87100 1.37000 1.000 H44 H 8.02300 1.49000 0.15700 1.000 H45 H 7.25900 -0.37700 -1.25400 1.000 H46 H 4.85600 -0.87000 -1.45000 1.000