# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9XB' 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 -4.97000 0.74500 1.01400 1.000 C1 C -2.22700 4.24600 0.77700 1.000 C2 C 0.19900 1.36900 3.32500 1.000 C3 C -1.07100 1.40600 4.18200 1.000 C4 C 1.03300 0.15200 3.67100 1.000 C5 C 2.68500 -1.27700 2.97200 1.000 C6 C 0.29700 -1.17700 3.42900 1.000 C7 C 2.85700 -1.73700 0.49400 1.000 C8 C -1.99500 -3.92200 -0.68500 1.000 C9 C -1.66000 -4.95800 0.39000 1.000 C10 C -3.12900 -3.02200 -0.19100 1.000 C11 C -3.46300 -1.98600 -1.26700 1.000 C12 C -5.34300 -3.19600 -2.19700 1.000 C13 C -3.99500 -1.77300 -3.61900 1.000 C14 C -4.50900 -1.00900 -0.72600 1.000 C15 C -3.90900 -0.20900 0.43200 1.000 C16 C -2.83400 1.82300 0.73200 1.000 C17 C -4.34300 2.15200 0.86400 1.000 C18 C -2.10000 2.94100 -0.01100 1.000 C19 C -0.61400 2.57100 -0.15400 1.000 C20 C -0.17400 1.40300 1.87200 1.000 C21 C 1.41800 -2.15400 3.00700 1.000 C22 C 3.60600 -1.64200 1.82600 1.000 C23 C 2.67500 -0.45600 -1.52000 1.000 C24 C 3.19100 0.59200 -2.47900 1.000 C25 C 4.62600 0.24100 -2.87200 1.000 C26 C 3.16400 1.94300 -1.77000 1.000 C27 C 1.58300 3.45400 -0.95800 1.000 C28 C 2.32400 4.19300 -2.08100 1.000 C29 C 3.16100 3.10100 -2.77900 1.000 C30 C 0.07300 3.60900 -1.04500 1.000 C31 C -0.42800 3.41100 -2.47600 1.000 C32 C 3.04800 -3.14300 -0.08600 1.000 C33 C 4.53800 -3.40200 -0.31700 1.000 C34 C 4.71900 -4.75200 -1.01300 1.000 N35 N -3.99600 -2.66700 -2.45400 1.000 O36 O -2.82200 0.60100 -0.04500 1.000 O37 O -0.01000 2.54100 1.16600 1.000 O38 O -0.62300 0.43300 1.30800 1.000 O39 O 2.22000 0.07800 2.86500 1.000 O40 O 3.39800 -0.76300 -0.43300 1.000 O41 O 1.61700 -0.99300 -1.74200 1.000 O42 O 1.94800 2.06900 -1.01100 1.000 H43 H -5.89800 0.67800 0.44500 1.000 H44 H -5.15200 0.51800 2.06500 1.000 H45 H -1.70400 5.04200 0.24800 1.000 H46 H -3.28000 4.50800 0.87800 1.000 H47 H -1.78800 4.11700 1.76600 1.000 H48 H 0.78000 2.27900 3.55600 1.000 H49 H -0.79700 1.45100 5.23600 1.000 H50 H -1.65900 2.28600 3.92200 1.000 H51 H -1.66000 0.50800 3.99800 1.000 H52 H 1.34100 0.19600 4.72600 1.000 H53 H 3.20800 -1.38800 3.92500 1.000 H54 H -0.17700 -1.52700 4.35100 1.000 H55 H -0.42900 -1.08700 2.63300 1.000 H56 H 1.79800 -1.53900 0.66000 1.000 H57 H -1.11300 -3.31500 -0.89200 1.000 H58 H -2.30600 -4.43200 -1.59700 1.000 H59 H -2.54200 -5.56500 0.59600 1.000 H60 H -0.85200 -5.59900 0.03800 1.000 H61 H -1.34900 -4.44800 1.30200 1.000 H62 H -4.01000 -3.62900 0.01500 1.000 H63 H -2.81700 -2.51200 0.72000 1.000 H64 H -2.56000 -1.43900 -1.53700 1.000 H65 H -6.01100 -2.37600 -1.93500 1.000 H66 H -5.71400 -3.69500 -3.09200 1.000 H67 H -5.30200 -3.90900 -1.37400 1.000 H68 H -4.73500 -0.98500 -3.47300 1.000 H69 H -3.00700 -1.32600 -3.73400 1.000 H70 H -4.24200 -2.34200 -4.51500 1.000 H71 H -4.81300 -0.32700 -1.52000 1.000 H72 H -5.37700 -1.56500 -0.37300 1.000 H73 H -3.55600 -0.88800 1.20800 1.000 H74 H -2.39100 1.65800 1.71400 1.000 H75 H -4.71300 2.64700 -0.03400 1.000 H76 H -4.53200 2.76100 1.74800 1.000 H77 H -2.53900 3.06900 -1.00000 1.000 H78 H -0.52800 1.58900 -0.62000 1.000 H79 H 1.20400 -2.57200 2.03200 1.000 H80 H 1.52200 -2.93200 3.76500 1.000 H81 H 4.38400 -0.87800 1.74200 1.000 H82 H 4.09400 -2.60800 2.02200 1.000 H83 H 2.56300 0.62700 -3.36300 1.000 H84 H 4.64100 -0.73800 -3.35200 1.000 H85 H 5.00700 0.99200 -3.56400 1.000 H86 H 5.25100 0.21800 -1.98000 1.000 H87 H 4.01900 2.03300 -1.09800 1.000 H88 H 1.92400 3.85300 0.00800 1.000 H89 H 1.66600 4.67800 -2.78700 1.000 H90 H 2.99700 4.94000 -1.63800 1.000 H91 H 4.17600 3.46100 -2.94900 1.000 H92 H 2.69000 2.79800 -3.71200 1.000 H93 H -0.20900 4.60700 -0.70700 1.000 H94 H -1.50900 3.54800 -2.50300 1.000 H95 H 0.04700 4.14100 -3.13100 1.000 H96 H -0.18100 2.40500 -2.81200 1.000 H97 H 2.65500 -3.88100 0.61300 1.000 H98 H 2.51500 -3.22100 -1.03300 1.000 H99 H 4.95100 -2.61200 -0.94300 1.000 H100 H 5.05700 -3.41500 0.64200 1.000 H101 H 5.78100 -4.93700 -1.17700 1.000 H102 H 4.30600 -5.54300 -0.38600 1.000 H103 H 4.20000 -4.73900 -1.97100 1.000