# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '00L' 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 -2.03000 2.46500 -0.93500 1.000 N1 N -3.12500 3.52400 0.82000 1.000 O2 O -3.27100 0.13700 -0.00900 1.000 C3 C -1.75000 3.98400 -1.03400 1.000 N4 N -2.94400 2.30800 0.20800 1.000 O5 O -0.59900 1.09600 0.34900 1.000 C6 C -2.94100 4.56400 -0.22200 1.000 N7 N -3.99800 0.13700 2.73300 1.000 C8 C -4.47800 3.59200 1.39000 1.000 C9 C -4.64200 2.46600 2.41100 1.000 C10 C -4.48900 1.10500 1.74300 1.000 C11 C -3.52800 1.15800 0.59200 1.000 C12 C -0.74800 1.71200 -0.68500 1.000 C13 C -5.85500 0.64500 1.22900 1.000 C14 C -5.74500 -0.76200 0.70000 1.000 C15 C -5.43700 -0.97700 -0.63100 1.000 C16 C -5.33100 -2.26700 -1.11600 1.000 C17 C -5.54300 -3.34200 -0.27300 1.000 C18 C -5.85600 -3.12700 1.05600 1.000 C19 C -5.95700 -1.83600 1.54300 1.000 C20 C 2.60700 1.62200 -2.18400 1.000 N21 N 0.23100 1.72400 -1.61000 1.000 O22 O 2.33700 1.45700 -3.57800 1.000 C23 C 1.47700 0.99200 -1.36800 1.000 C24 C 1.30000 -0.46900 -1.78600 1.000 C25 C 0.08000 -2.59600 -1.30400 1.000 N26 N -0.91800 -3.23300 -0.44100 1.000 C27 C 0.25700 -1.13500 -0.88600 1.000 C28 C -1.24600 -4.55500 -0.63000 1.000 O29 O 4.50100 0.30600 -2.68400 1.000 C30 C 3.91100 0.94900 -1.84200 1.000 N31 N -0.66900 -5.24100 -1.57600 1.000 N32 N -2.18300 -5.15300 0.17900 1.000 C33 C 7.34400 0.01400 1.53800 1.000 C34 C 8.53700 0.68900 1.36200 1.000 C35 C 9.73300 0.06800 1.67000 1.000 C36 C 9.73600 -1.22600 2.15600 1.000 C37 C 8.54300 -1.90100 2.33100 1.000 C38 C 7.34600 -1.28100 2.02200 1.000 C39 C 6.04000 0.68700 1.19600 1.000 C40 C 5.68800 0.40500 -0.26700 1.000 N41 N 4.42100 1.06000 -0.59900 1.000 H42 H -2.50400 2.10900 -1.84900 1.000 H43 H -0.79800 4.23900 -0.56800 1.000 H44 H -1.78000 4.32200 -2.07000 1.000 H45 H -3.83100 4.65400 -0.84500 1.000 H46 H -2.68000 5.52300 0.22500 1.000 H47 H -3.88600 -0.77700 2.32000 1.000 H48 H -3.13600 0.45300 3.15100 1.000 H49 H -4.61900 4.55400 1.88200 1.000 H50 H -5.21500 3.47400 0.59600 1.000 H51 H -3.88400 2.57200 3.18700 1.000 H52 H -5.63100 2.53400 2.86500 1.000 H53 H -6.57700 0.67000 2.04600 1.000 H54 H -6.18600 1.30900 0.43100 1.000 H55 H -5.27500 -0.13700 -1.29000 1.000 H56 H -5.08500 -2.43500 -2.15400 1.000 H57 H -5.46400 -4.35000 -0.65200 1.000 H58 H -6.02200 -3.96600 1.71500 1.000 H59 H -6.20200 -1.66800 2.58100 1.000 H60 H 0.11200 2.21600 -2.43700 1.000 H61 H 1.72500 1.03800 -0.30700 1.000 H62 H 0.96500 -0.51300 -2.82200 1.000 H63 H 2.25100 -0.99300 -1.68900 1.000 H64 H 1.03100 -3.11900 -1.20700 1.000 H65 H -0.25400 -2.63900 -2.34000 1.000 H66 H -1.34800 -2.72200 0.26200 1.000 H67 H 0.59200 -1.09200 0.15100 1.000 H68 H -0.69400 -0.61100 -0.98200 1.000 H69 H -0.90000 -6.17400 -1.70900 1.000 H70 H -2.61300 -4.64200 0.88300 1.000 H71 H -2.41400 -6.08500 0.04600 1.000 H72 H 2.67400 2.68500 -1.95100 1.000 H73 H 2.26300 0.53500 -3.85800 1.000 H74 H 8.53500 1.69900 0.97900 1.000 H75 H 10.66600 0.59600 1.53300 1.000 H76 H 10.67100 -1.71000 2.39800 1.000 H77 H 8.54500 -2.91200 2.71100 1.000 H78 H 6.41400 -1.80800 2.16000 1.000 H79 H 5.25000 0.30000 1.84000 1.000 H80 H 6.13600 1.76300 1.34500 1.000 H81 H 5.59200 -0.67000 -0.41600 1.000 H82 H 6.47800 0.79300 -0.91100 1.000 H83 H 3.94900 1.57400 0.07500 1.000