# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9KW' 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 -2.76000 -0.12700 0.49100 1.000 C1 C 2.14900 2.49900 0.74300 1.000 C2 C -2.07400 -1.33200 0.60800 1.000 C3 C -1.00800 -1.60700 -0.23100 1.000 C4 C -0.62000 -0.67400 -1.19700 1.000 C5 C -1.19800 -3.95800 -0.41900 1.000 C6 C -0.39200 -5.25700 -0.33600 1.000 C7 C 1.06100 -4.27200 1.29400 1.000 C8 C 0.26900 -2.96300 1.22700 1.000 C9 C 2.19900 0.93900 -1.06600 1.000 C10 C 1.57600 1.97800 -0.39800 1.000 N11 N -3.83100 0.13800 1.34200 1.000 N12 N -0.31900 -2.82000 -0.11300 1.000 C13 C -4.23000 -0.85100 2.34600 1.000 N14 N 0.45800 -0.95400 -2.04600 1.000 N15 N -3.04200 2.01900 -0.59400 1.000 C16 C -2.62000 2.99000 -1.60700 1.000 O17 O -4.67300 3.35800 0.11100 1.000 C18 C -4.08200 2.30100 0.21700 1.000 C19 C 3.34500 1.98700 1.23000 1.000 C20 C 3.92000 2.61100 2.47400 1.000 C21 C 4.96000 1.68900 3.10600 1.000 C22 C 5.96200 1.27500 2.02200 1.000 C23 C 5.25400 0.33800 1.04500 1.000 C24 C -4.50000 1.30500 1.24200 1.000 C25 C 3.96100 0.94800 0.57000 1.000 C26 C 3.38200 0.42300 -0.57900 1.000 C27 C -1.30000 0.52500 -1.31500 1.000 C28 C -2.36800 0.80700 -0.47000 1.000 O29 O -5.43500 1.54000 1.98200 1.000 O30 O 0.19800 -5.36300 0.96200 1.000 O31 O 0.64800 1.28400 -3.07000 1.000 O32 O 2.52900 -0.35300 -3.24700 1.000 S33 S 1.47400 0.26400 -2.52300 1.000 H34 H 1.66500 3.31400 1.26100 1.000 H35 H -2.37200 -2.05300 1.35400 1.000 H36 H -1.60200 -3.84500 -1.42500 1.000 H37 H -2.01600 -3.99000 0.30000 1.000 H38 H -1.05300 -6.10700 -0.50600 1.000 H39 H 0.39200 -5.24800 -1.09300 1.000 H40 H 1.88800 -4.23400 0.58400 1.000 H41 H 1.45200 -4.41000 2.30200 1.000 H42 H -0.52500 -2.97900 1.97400 1.000 H43 H 0.93700 -2.12400 1.42300 1.000 H44 H 0.64500 2.37900 -0.77000 1.000 H45 H -3.68500 -0.66900 3.27200 1.000 H46 H -5.30100 -0.76800 2.53200 1.000 H47 H -4.00100 -1.85200 1.98100 1.000 H48 H 0.61100 -1.86100 -2.35400 1.000 H49 H -3.26000 3.87100 -1.55500 1.000 H50 H -1.58600 3.28000 -1.42300 1.000 H51 H -2.70100 2.54000 -2.59700 1.000 H52 H 4.39100 3.56000 2.21600 1.000 H53 H 3.11800 2.79200 3.19000 1.000 H54 H 5.48200 2.21600 3.90500 1.000 H55 H 4.46900 0.80300 3.51000 1.000 H56 H 6.31600 2.15900 1.49200 1.000 H57 H 6.80600 0.75900 2.47900 1.000 H58 H 5.90200 0.15700 0.18700 1.000 H59 H 5.04300 -0.60800 1.54200 1.000 H60 H 3.86800 -0.38700 -1.10100 1.000 H61 H -0.99900 1.24500 -2.06200 1.000