# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9D6' 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 -6.71100 1.21300 0.67300 1.000 C1 C -7.05200 2.49100 -0.09600 1.000 C2 C -7.74700 2.12500 -1.40900 1.000 C3 C -6.81400 1.25600 -2.25400 1.000 C4 C -6.47200 -0.02200 -1.48600 1.000 C5 C -5.77800 0.34300 -0.17200 1.000 N6 N -5.45000 -0.88400 0.56600 1.000 C7 C -6.64100 -1.72400 0.74800 1.000 C8 C -6.36700 -2.77100 1.82800 1.000 C9 C -4.37700 -1.63000 -0.10400 1.000 C10 C -3.05600 -0.95100 0.15100 1.000 C11 C -2.34900 -1.22700 1.30600 1.000 C12 C -1.13800 -0.60300 1.54100 1.000 C13 C -2.55000 -0.05500 -0.77200 1.000 C14 C -1.33900 0.56800 -0.53800 1.000 C15 C -0.63400 0.29600 0.62000 1.000 C16 C 0.68700 0.97600 0.87600 1.000 N17 N 1.77000 0.16700 0.31200 1.000 C18 C 3.04800 0.58200 0.42200 1.000 O19 O 3.30100 1.62800 0.98900 1.000 C20 C 4.13500 -0.23000 -0.14400 1.000 C21 C 5.54100 0.15500 -0.06400 1.000 C22 C 6.15600 1.29900 0.52300 1.000 O23 O 5.48400 2.15500 1.07200 1.000 N24 N 7.49800 1.41600 0.45800 1.000 C25 C 8.23900 0.45900 -0.15500 1.000 N26 N 7.69400 -0.59100 -0.69600 1.000 C27 C 6.35800 -0.78600 -0.67500 1.000 S28 S 5.37700 -2.09500 -1.31900 1.000 C29 C 3.92600 -1.39300 -0.77500 1.000 H30 H -6.21600 1.47300 1.60900 1.000 H31 H -7.62600 0.66200 0.88700 1.000 H32 H -7.71700 3.11000 0.50700 1.000 H33 H -6.13700 3.04200 -0.31000 1.000 H34 H -8.66300 1.57400 -1.19500 1.000 H35 H -7.99000 3.03600 -1.95700 1.000 H36 H -7.30900 0.99500 -3.19000 1.000 H37 H -5.89800 1.80700 -2.46900 1.000 H38 H -7.38800 -0.57300 -1.27100 1.000 H39 H -5.80800 -0.64200 -2.08800 1.000 H40 H -4.86200 0.89400 -0.38600 1.000 H41 H -7.48200 -1.10000 1.05100 1.000 H42 H -6.88000 -2.22400 -0.19100 1.000 H43 H -7.23600 -3.42200 1.93300 1.000 H44 H -5.49900 -3.36700 1.54500 1.000 H45 H -6.17100 -2.27200 2.77700 1.000 H46 H -4.34300 -2.64800 0.28600 1.000 H47 H -4.56900 -1.65900 -1.17700 1.000 H48 H -2.74300 -1.92900 2.02600 1.000 H49 H -0.58500 -0.81800 2.44400 1.000 H50 H -3.10000 0.15700 -1.67700 1.000 H51 H -0.94300 1.26800 -1.25900 1.000 H52 H 0.68500 1.96000 0.40600 1.000 H53 H 0.83600 1.08700 1.95000 1.000 H54 H 1.56800 -0.66700 -0.14000 1.000 H55 H 9.31200 0.57200 -0.19600 1.000 H56 H 2.95100 -1.83200 -0.92300 1.000 H57 H 7.93500 2.18800 0.85100 1.000