# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'J8H' 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 -4.26700 -0.60900 -2.95500 1.000 O1 O -4.42200 0.48900 -2.05300 1.000 C2 C -3.76500 0.40900 -0.86600 1.000 C3 C -2.99000 -0.69600 -0.57300 1.000 C4 C -2.31600 -0.78400 0.63800 1.000 C5 C -2.40600 0.21800 1.56100 1.000 C6 C -3.18400 1.34800 1.28900 1.000 N7 N -3.47900 2.48100 1.95800 1.000 N8 N -4.26000 3.20700 1.23800 1.000 N9 N -4.52600 2.64700 0.10900 1.000 C10 C -5.39300 3.19200 -0.93800 1.000 C11 C -3.86400 1.44400 0.06200 1.000 C12 C -1.47600 -1.99900 0.93800 1.000 C13 C -2.31300 -3.26200 0.72700 1.000 C14 C -1.51400 -4.47000 1.14300 1.000 O15 O -2.05100 -5.69600 1.04500 1.000 O16 O -0.39000 -4.33400 1.56600 1.000 C17 C -0.28500 -2.02600 0.01600 1.000 C18 C -0.46400 -2.23600 -1.33900 1.000 C19 C 0.62900 -2.26000 -2.18500 1.000 C20 C 1.90100 -2.07500 -1.67700 1.000 C21 C 3.09200 -2.10200 -2.59900 1.000 C22 C 2.08000 -1.86400 -0.32300 1.000 C23 C 3.46700 -1.66100 0.23100 1.000 N24 N 3.88900 -0.27800 -0.00300 1.000 C25 C 4.49100 0.10600 -1.27600 1.000 C26 C 3.66700 1.12800 -2.04300 1.000 O27 O 3.59300 2.37300 -1.34100 1.000 C28 C 2.48800 2.55500 -0.56900 1.000 C29 C 1.49100 3.43200 -0.98000 1.000 C30 C 0.34600 3.57300 -0.22100 1.000 C31 C 0.17800 2.84600 0.94400 1.000 C32 C 1.17800 1.98500 1.36900 1.000 C33 C 2.32500 1.86800 0.62300 1.000 S34 S 3.68200 0.88000 1.17900 1.000 O35 O 3.24000 0.20100 2.34600 1.000 O36 O 4.83400 1.71200 1.14300 1.000 C37 C 0.98700 -1.83500 0.52300 1.000 H38 H -4.84200 -0.41800 -3.86200 1.000 H39 H -3.21400 -0.72300 -3.21100 1.000 H40 H -4.62800 -1.52200 -2.48200 1.000 H41 H -2.90700 -1.49900 -1.29100 1.000 H42 H -1.87800 0.13900 2.50000 1.000 H43 H -6.41900 2.86400 -0.76800 1.000 H44 H -5.35200 4.28100 -0.91400 1.000 H45 H -5.05500 2.83600 -1.91200 1.000 H46 H -1.13400 -1.95800 1.97200 1.000 H47 H -3.22000 -3.20100 1.32800 1.000 H48 H -2.58100 -3.34900 -0.32600 1.000 H49 H -1.50000 -6.44000 1.32400 1.000 H50 H -1.45800 -2.38000 -1.73600 1.000 H51 H 0.48900 -2.42500 -3.24300 1.000 H52 H 3.29000 -1.09600 -2.96700 1.000 H53 H 3.96400 -2.46800 -2.05600 1.000 H54 H 2.88500 -2.76300 -3.44100 1.000 H55 H 3.46300 -1.86300 1.30300 1.000 H56 H 4.15900 -2.34100 -0.26400 1.000 H57 H 5.47800 0.52600 -1.08400 1.000 H58 H 4.60400 -0.78500 -1.89300 1.000 H59 H 4.12300 1.29500 -3.01900 1.000 H60 H 2.65800 0.73800 -2.18500 1.000 H61 H 1.61200 4.00300 -1.88900 1.000 H62 H -0.42600 4.25700 -0.54000 1.000 H63 H -0.72900 2.95000 1.52100 1.000 H64 H 1.05600 1.41200 2.27600 1.000 H65 H 1.12600 -1.66700 1.58100 1.000