# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JDD' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy O0 O 0.92000 1.45700 1.17000 1.000 C1 C 0.32900 1.43600 0.11100 1.000 C2 C 1.01800 0.92100 -1.12700 1.000 C3 C 2.42100 0.49700 -0.78100 1.000 C4 C 2.67100 -0.80300 -0.38100 1.000 C5 C 3.95700 -1.19500 -0.06300 1.000 C6 C 4.99900 -0.28200 -0.14600 1.000 N7 N 6.30600 -0.67700 0.17600 1.000 N8 N 6.70200 -1.95400 0.59200 1.000 C9 C 7.99400 -1.93500 0.79600 1.000 C10 C 8.46300 -0.64700 0.51700 1.000 C11 C 7.40700 0.10600 0.13300 1.000 C12 C 4.74600 1.02300 -0.54700 1.000 C13 C 3.45900 1.40700 -0.86900 1.000 N14 N -0.94600 1.86900 0.04300 1.000 C15 C -1.63100 1.92700 -1.25100 1.000 C16 C -1.93200 0.52800 -1.72300 1.000 O17 O -1.50500 -0.42500 -1.10700 1.000 N18 N -2.67600 0.33600 -2.83000 1.000 C19 C -2.96900 -1.02400 -3.29000 1.000 C20 C -1.64600 2.28100 1.26200 1.000 C21 C -1.64200 1.12700 2.26900 1.000 C22 C -2.40100 -0.06300 1.67600 1.000 N23 N -3.78000 0.33800 1.36900 1.000 C24 C -3.81000 1.41300 0.36800 1.000 C25 C -3.09300 2.64700 0.92200 1.000 C26 C -4.53400 -0.75200 0.95100 1.000 N27 N -3.97300 -1.94900 0.87900 1.000 C28 C -4.65400 -3.01000 0.48800 1.000 C29 C -5.98500 -2.90700 0.13700 1.000 C30 C -6.61100 -1.66900 0.19800 1.000 C31 C -5.87300 -0.57700 0.61800 1.000 H32 H 0.46600 0.06700 -1.52000 1.000 H33 H 1.05100 1.70900 -1.87800 1.000 H34 H 1.85900 -1.51300 -0.31700 1.000 H35 H 3.26200 2.42000 -1.18600 1.000 H36 H 4.15100 -2.21100 0.24900 1.000 H37 H 5.55500 1.73500 -0.61200 1.000 H38 H 7.43800 1.14700 -0.15500 1.000 H39 H 8.59600 -2.77000 1.12500 1.000 H40 H 9.48800 -0.31300 0.59200 1.000 H41 H -2.56200 2.48300 -1.14400 1.000 H42 H -0.99100 2.42700 -1.97900 1.000 H43 H -1.14300 3.14500 1.69600 1.000 H44 H -3.01800 1.09900 -3.32300 1.000 H45 H -2.03600 -1.54300 -3.50700 1.000 H46 H -3.51100 -1.56100 -2.51100 1.000 H47 H -3.57900 -0.97900 -4.19200 1.000 H48 H -0.61400 0.83300 2.48200 1.000 H49 H -2.12900 1.44600 3.19000 1.000 H50 H -3.60300 2.99000 1.82200 1.000 H51 H -3.10200 3.43900 0.17300 1.000 H52 H -1.90600 -0.39100 0.76200 1.000 H53 H -2.41200 -0.88100 2.39600 1.000 H54 H -3.30800 1.07800 -0.53900 1.000 H55 H -4.84500 1.66600 0.13900 1.000 H56 H -6.33000 0.40000 0.68200 1.000 H57 H -4.16300 -3.97100 0.44200 1.000 H58 H -6.53300 -3.78100 -0.18300 1.000 H59 H -7.65100 -1.56200 -0.07200 1.000