# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'J80' 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 2.74400 -0.39700 -9.89700 1.000 C1 C 1.91700 -0.10100 -8.67300 1.000 C2 C 2.17300 1.03700 -7.92200 1.000 C3 C 1.38700 1.27000 -6.80400 1.000 C4 C 0.38800 0.34500 -6.50400 1.000 N5 N 0.22300 -0.71600 -7.27900 1.000 N6 N 0.95100 -0.92300 -8.31600 1.000 N7 N -0.42700 0.53300 -5.39400 1.000 C8 C -1.36000 -0.59800 -5.36000 1.000 C9 C -2.29100 -0.46500 -4.15300 1.000 C10 C -1.45800 -0.48900 -2.86800 1.000 C11 C -0.39600 0.61200 -2.94400 1.000 C12 C 0.43600 0.42200 -4.21300 1.000 C13 C -2.36700 -0.24300 -1.66300 1.000 C14 C -1.53300 -0.26700 -0.38100 1.000 C15 C -2.44200 -0.02100 0.82300 1.000 C16 C -1.60800 -0.04600 2.10600 1.000 O17 O -2.45700 0.18400 3.23100 1.000 C18 C -1.66600 0.15100 4.33300 1.000 C19 C -2.22200 0.34600 5.59200 1.000 C20 C -1.42300 0.31300 6.71300 1.000 C21 C -0.05000 0.08300 6.58300 1.000 C22 C 0.50500 -0.10600 5.31500 1.000 C23 C -0.30100 -0.07600 4.20000 1.000 C24 C 0.80900 0.04700 7.78000 1.000 O25 O 0.32400 0.21700 8.88200 1.000 O26 O 2.13200 -0.17300 7.65300 1.000 C27 C 2.97900 -0.20900 8.83200 1.000 C28 C 4.42600 -0.47500 8.41300 1.000 H29 H 3.08300 0.53800 -10.34200 1.000 H30 H 3.60800 -0.99900 -9.61500 1.000 H31 H 2.14000 -0.94500 -10.62000 1.000 H32 H 2.96000 1.72200 -8.20000 1.000 H33 H 1.54400 2.14100 -6.18500 1.000 H34 H -0.79800 -1.52900 -5.28300 1.000 H35 H -1.95100 -0.60800 -6.27500 1.000 H36 H -2.99700 -1.29500 -4.14500 1.000 H37 H -2.83600 0.47600 -4.21600 1.000 H38 H -0.97200 -1.46000 -2.76700 1.000 H39 H -0.88400 1.58600 -2.97000 1.000 H40 H 0.25200 0.55200 -2.07000 1.000 H41 H 0.90300 -0.56200 -4.19700 1.000 H42 H 1.20900 1.18900 -4.25700 1.000 H43 H -3.12800 -1.02200 -1.61700 1.000 H44 H -2.84900 0.72900 -1.76400 1.000 H45 H -0.77200 0.51100 -0.42700 1.000 H46 H -1.05100 -1.24000 -0.28000 1.000 H47 H -3.20300 -0.80000 0.87000 1.000 H48 H -2.92400 0.95100 0.72200 1.000 H49 H -0.84700 0.73300 2.05900 1.000 H50 H -1.12600 -1.01800 2.20700 1.000 H51 H -3.28300 0.52300 5.69100 1.000 H52 H -1.85600 0.46400 7.69000 1.000 H53 H 1.56500 -0.28300 5.21000 1.000 H54 H 0.12600 -0.22700 3.22000 1.000 H55 H 2.64100 -1.00300 9.49800 1.000 H56 H 2.92000 0.74800 9.35000 1.000 H57 H 5.06100 -0.50100 9.29800 1.000 H58 H 4.48400 -1.43200 7.89500 1.000 H59 H 4.76300 0.31900 7.74700 1.000