# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9LQ' 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 2.74500 1.71600 0.04000 1.000 C1 C 3.65800 2.70600 0.39900 1.000 C2 C 4.95700 2.40100 0.66600 1.000 C3 C 5.38700 1.06700 0.57900 1.000 C4 C 4.45600 0.05900 0.21400 1.000 C5 C 4.91100 -1.26900 0.13300 1.000 C6 C 3.12500 0.41100 -0.05500 1.000 N7 N 7.06800 -0.56800 0.74800 1.000 O8 O 2.15300 -1.07400 -1.89500 1.000 O9 O -3.50300 1.88700 -1.31500 1.000 O10 O 2.03600 -1.83900 0.48100 1.000 S11 S 1.95500 -0.82400 -0.51000 1.000 C12 C 6.22000 -1.52900 0.40900 1.000 C13 C 6.71400 0.69200 0.84300 1.000 N14 N 0.44900 -0.15000 -0.36700 1.000 C15 C -0.22000 0.48300 -1.55300 1.000 C16 C -1.36500 -0.36700 -1.90100 1.000 N17 N -2.33200 -0.54900 -0.82100 1.000 C18 C -1.93300 -1.74500 -0.12500 1.000 C19 C -1.15300 -1.38200 1.16300 1.000 C20 C -0.24100 -0.16600 0.89200 1.000 C21 C -3.69600 -0.67900 -1.35100 1.000 C22 C -4.68500 -0.61800 -0.21500 1.000 C23 C -5.05100 0.61300 0.32600 1.000 B24 B -4.43500 1.94000 -0.24500 1.000 O25 O -4.81000 3.19300 0.30900 1.000 C26 C -5.96600 0.66300 1.37700 1.000 C27 C -6.50400 -0.50600 1.87500 1.000 C28 C -6.13700 -1.72600 1.33300 1.000 C29 C -5.23400 -1.78000 0.28700 1.000 H30 H 1.71900 1.98600 -0.16300 1.000 H31 H 3.32900 3.73300 0.46500 1.000 H32 H 5.65300 3.17900 0.94300 1.000 H33 H 4.23700 -2.06700 -0.14100 1.000 H34 H -3.18000 2.75300 -1.59900 1.000 H35 H 6.57600 -2.54700 0.35000 1.000 H36 H 7.44200 1.43900 1.12300 1.000 H37 H -0.56400 1.48500 -1.29600 1.000 H38 H 0.47600 0.53200 -2.39100 1.000 H39 H -1.87900 0.07700 -2.75400 1.000 H40 H -0.99100 -1.34700 -2.19600 1.000 H41 H -2.81900 -2.32200 0.14000 1.000 H42 H -1.29400 -2.34400 -0.77400 1.000 H43 H -1.85700 -1.13800 1.95800 1.000 H44 H -0.54200 -2.23200 1.46900 1.000 H45 H 0.50400 -0.11700 1.68600 1.000 H46 H -0.85100 0.73600 0.95200 1.000 H47 H -3.89400 0.13500 -2.04900 1.000 H48 H -3.79500 -1.63300 -1.86800 1.000 H49 H -4.37900 3.95100 -0.10800 1.000 H50 H -6.25300 1.61400 1.80000 1.000 H51 H -7.21300 -0.46900 2.68900 1.000 H52 H -6.56100 -2.63800 1.72600 1.000 H53 H -4.95400 -2.73400 -0.13500 1.000