# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'J9D' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C0 C -0.53500 2.23800 0.06300 1.000 C1 C 1.38500 0.81800 0.18200 1.000 C2 C 3.71800 1.60100 0.16800 1.000 C3 C 4.74300 -0.29500 0.30800 1.000 C4 C 3.42500 -0.57200 0.30000 1.000 C5 C -4.82300 0.11000 -0.87700 1.000 C6 C -7.11200 -0.57700 -0.32600 1.000 C7 C -5.69500 -0.72700 -0.17500 1.000 C8 C -5.18200 -1.71200 0.67400 1.000 C9 C -3.82100 -1.85400 0.81600 1.000 C10 C -2.95500 -1.01900 0.11600 1.000 C11 C -0.75200 -0.05500 0.20500 1.000 C12 C 0.85100 2.09800 0.09300 1.000 C13 C 5.85700 -1.30600 0.38900 1.000 C14 C 6.80700 -1.11400 -0.79500 1.000 C15 C -3.46200 -0.04100 -0.73400 1.000 N16 N -8.23500 -0.45700 -0.44600 1.000 N17 N -1.57700 -1.16600 0.26300 1.000 N18 N -1.29700 1.14900 0.12000 1.000 N19 N -1.11200 3.49600 -0.02000 1.000 N20 N 2.76800 0.63000 0.21400 1.000 N21 N 4.89200 1.03600 0.22100 1.000 N22 N 0.56100 -0.22400 0.23500 1.000 O23 O 7.86400 -2.07300 -0.71800 1.000 H24 H 3.53200 2.66200 0.09400 1.000 H25 H 2.97300 -1.55100 0.35400 1.000 H26 H -5.21600 0.87100 -1.53400 1.000 H27 H -5.85400 -2.36000 1.21800 1.000 H28 H -3.42400 -2.61200 1.47600 1.000 H29 H 1.49600 2.96300 0.04700 1.000 H30 H 6.40600 -1.16700 1.32100 1.000 H31 H 5.43800 -2.31100 0.36000 1.000 H32 H 6.25800 -1.25300 -1.72700 1.000 H33 H 7.22600 -0.10800 -0.76700 1.000 H34 H -2.78800 0.60500 -1.27600 1.000 H35 H -1.19600 -2.04700 0.40600 1.000 H36 H -2.07800 3.58600 -0.03600 1.000 H37 H -0.55000 4.28500 -0.06200 1.000 H38 H 8.50500 -2.01000 -1.43900 1.000