# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '99B' 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 4.32600 2.30500 -0.58400 1.000 N1 N 5.20100 1.16000 -0.32200 1.000 O2 O 0.78800 -2.83500 0.13400 1.000 C3 C 5.01800 3.59100 -0.12600 1.000 N4 N 0.45700 -0.63900 0.12100 1.000 O5 O -7.88900 -0.47500 1.31600 1.000 C6 C 5.19900 3.55900 1.39300 1.000 N7 N -2.15700 1.84900 0.17600 1.000 O8 O 7.44400 0.05800 -0.12000 1.000 C9 C 4.03200 2.39000 -2.08300 1.000 N10 N -4.04300 0.98900 -0.91200 1.000 C11 C 4.65500 -0.10700 -0.15200 1.000 N12 N 7.76300 -2.14000 -0.08000 1.000 C13 C 3.27700 -0.27100 -0.10800 1.000 C14 C 2.73500 -1.54200 0.06200 1.000 C15 C 1.26500 -1.71800 0.10800 1.000 C16 C -0.99700 -0.81300 0.16700 1.000 C17 C -1.62500 -0.17200 -1.07400 1.000 C18 C -1.41200 1.34900 -1.01000 1.000 C19 C -1.34200 1.37100 1.32400 1.000 C20 C -1.55000 -0.14800 1.43000 1.000 C21 C 0.11900 1.61800 0.88100 1.000 C22 C 0.07300 1.60300 -0.66100 1.000 C23 C -3.43400 1.31800 0.21900 1.000 C24 C -5.25700 0.48000 -0.92000 1.000 C25 C -5.94600 0.27000 0.27900 1.000 C26 C -7.30000 -0.29700 0.27100 1.000 C27 C -7.95800 -0.65800 -1.03600 1.000 C28 C -9.48300 -0.56500 -1.10800 1.000 C29 C -8.80100 -1.93400 -1.07300 1.000 C30 C -4.06000 1.13700 1.45200 1.000 C31 C -5.32200 0.61100 1.49300 1.000 C32 C 5.49500 -1.22400 -0.02900 1.000 C33 C 6.96000 -1.05700 -0.07900 1.000 C34 C 4.94100 -2.49500 0.14200 1.000 C35 C 3.57400 -2.65100 0.19000 1.000 C36 C 2.98100 -4.02500 0.37400 1.000 H37 H 3.39100 2.18100 -0.03700 1.000 H38 H 6.16100 1.28500 -0.26800 1.000 H39 H 5.99300 3.66900 -0.60700 1.000 H40 H 4.40600 4.45000 -0.40100 1.000 H41 H 0.83900 0.25200 0.10000 1.000 H42 H 4.22400 3.48000 1.87400 1.000 H43 H 5.81100 2.69900 1.66800 1.000 H44 H 5.69200 4.47500 1.71900 1.000 H45 H 4.96600 2.51400 -2.63000 1.000 H46 H 3.53900 1.47400 -2.40900 1.000 H47 H 3.38100 3.24200 -2.27800 1.000 H48 H 8.72600 -2.03000 -0.11300 1.000 H49 H 7.37700 -3.02900 -0.04800 1.000 H50 H 2.62700 0.58600 -0.20600 1.000 H51 H -1.23400 -1.87700 0.18500 1.000 H52 H -1.15100 -0.57000 -1.97100 1.000 H53 H -2.69300 -0.39000 -1.09600 1.000 H54 H -1.71900 1.84500 -1.93000 1.000 H55 H -1.59300 1.88600 2.25100 1.000 H56 H -2.61400 -0.36500 1.52000 1.000 H57 H -1.02200 -0.52900 2.30400 1.000 H58 H 0.46600 2.58700 1.24100 1.000 H59 H 0.76700 0.82200 1.24900 1.000 H60 H 0.69700 0.80000 -1.05200 1.000 H61 H 0.39600 2.56500 -1.06000 1.000 H62 H -5.72400 0.22300 -1.85900 1.000 H63 H -7.39400 -0.40100 -1.93300 1.000 H64 H -10.01100 -0.24200 -0.21100 1.000 H65 H -9.92300 -0.24600 -2.05300 1.000 H66 H -8.79300 -2.51600 -1.99500 1.000 H67 H -8.88100 -2.51200 -0.15200 1.000 H68 H -3.55400 1.40900 2.36600 1.000 H69 H -5.82800 0.46100 2.43500 1.000 H70 H 5.58600 -3.35600 0.23700 1.000 H71 H 2.70400 -4.43400 -0.59700 1.000 H72 H 3.71500 -4.67700 0.84800 1.000 H73 H 2.09500 -3.95600 1.00500 1.000