# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JAD' 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 -3.70700 -1.70300 0.93400 1.000 C1 C -2.76900 -0.35600 0.36900 1.000 C2 C -3.40900 0.76700 -0.17100 1.000 C3 C -4.83800 0.80400 -0.25800 1.000 N4 N -5.97100 0.83400 -0.32700 1.000 C5 C -1.39600 -0.38600 0.45600 1.000 C6 C -0.70200 -1.59000 1.04200 1.000 C7 C -0.64500 0.70200 0.00000 1.000 C8 C -1.28900 1.81900 -0.54300 1.000 C9 C -2.65200 1.85100 -0.62500 1.000 C10 C 0.82500 0.67300 0.09200 1.000 C11 C 1.73200 -0.27100 -0.67100 1.000 O12 O 1.45700 -0.21000 -2.07200 1.000 C13 C 0.55100 -1.21500 -2.53100 1.000 C14 C 3.13700 0.26600 -0.37200 1.000 C15 C 4.06800 -0.82100 0.18800 1.000 O16 O 4.98000 -1.26400 -0.81900 1.000 C17 C 4.83000 -0.11800 1.33700 1.000 C18 C 4.24200 1.31500 1.38300 1.000 N19 N 2.90000 1.17700 0.77900 1.000 N20 N 1.54300 1.45300 0.83300 1.000 H21 H -0.46100 -2.29300 0.24500 1.000 H22 H 0.21500 -1.27500 1.53900 1.000 H23 H -1.36000 -2.07200 1.76500 1.000 H24 H -0.70800 2.65800 -0.89400 1.000 H25 H -3.14600 2.71700 -1.04100 1.000 H26 H 1.62100 -1.29100 -0.30300 1.000 H27 H 0.40200 -1.10700 -3.60500 1.000 H28 H 0.96400 -2.20100 -2.31800 1.000 H29 H -0.40500 -1.10300 -2.01900 1.000 H30 H 3.57300 0.78000 -1.22900 1.000 H31 H 3.48700 -1.66000 0.57100 1.000 H32 H 5.59200 -1.95100 -0.52000 1.000 H33 H 4.65200 -0.63200 2.28100 1.000 H34 H 5.89800 -0.08300 1.11800 1.000 H35 H 4.16700 1.66400 2.41300 1.000 H36 H 4.85100 1.99700 0.79100 1.000