# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9HD' 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 -4.83600 -2.16500 -2.93600 1.000 C1 C -3.88600 -1.41400 -2.41800 1.000 N2 N -3.58100 -1.77100 -1.11700 1.000 C3 C -4.33400 -2.80700 -0.69700 1.000 C4 C -5.23800 -3.15600 -1.86300 1.000 O5 O -4.29900 -3.34400 0.39000 1.000 C6 C -2.56400 -1.10700 -0.29900 1.000 C7 C -1.18500 -1.32000 -0.92700 1.000 C8 C -2.86500 0.39100 -0.22700 1.000 C9 C -4.18700 0.61000 0.51300 1.000 N10 N -4.47600 2.04500 0.58200 1.000 C11 C -5.17500 2.72300 -0.34400 1.000 C12 C -5.27100 4.18200 0.04200 1.000 C13 C -4.17700 4.36200 1.12000 1.000 C14 C -4.04400 2.92500 1.67400 1.000 C15 C -0.10800 -0.76600 0.00900 1.000 O16 O -5.65800 2.23600 -1.34400 1.000 C17 C 1.26200 -0.88800 -0.66300 1.000 C18 C 2.32200 -0.22200 0.21700 1.000 N19 N 2.05600 1.21600 0.29900 1.000 C20 C 2.02600 2.04300 -0.76100 1.000 C21 C 1.73400 3.45700 -0.30900 1.000 C22 C 2.00500 3.43200 1.21300 1.000 C23 C 1.78300 1.93900 1.54700 1.000 O24 O 2.20700 1.70500 -1.91100 1.000 C25 C 3.70700 -0.45100 -0.39100 1.000 C26 C 4.77600 0.10500 0.55100 1.000 N27 N 6.10200 -0.11400 -0.03200 1.000 C28 C 6.72700 0.75600 -0.84400 1.000 C29 C 8.07100 0.20200 -1.26400 1.000 C30 C 7.98400 -1.30400 -0.92200 1.000 C31 C 6.92200 -1.30900 0.20100 1.000 O32 O 6.27900 1.82800 -1.18900 1.000 C33 C 0.01400 -3.30900 2.78000 1.000 C34 C 0.09000 -2.85600 1.33800 1.000 O35 O 0.29800 -3.58500 0.39100 1.000 N36 N -0.10800 -1.52900 1.25900 1.000 C37 C -0.32300 -0.94200 2.58700 1.000 C38 C -0.66900 -2.13100 3.51200 1.000 H39 H -5.25000 -2.08700 -3.93000 1.000 H40 H -3.40100 -0.60900 -2.94900 1.000 H41 H -6.28500 -3.02800 -1.58800 1.000 H42 H -5.05100 -4.17500 -2.20100 1.000 H43 H -2.57400 -1.52900 0.70700 1.000 H44 H -1.01700 -2.38600 -1.08300 1.000 H45 H -1.13700 -0.80000 -1.88300 1.000 H46 H -2.06200 0.89800 0.30700 1.000 H47 H -2.94300 0.79500 -1.23600 1.000 H48 H -4.99000 0.10300 -0.02100 1.000 H49 H -4.10900 0.20600 1.52300 1.000 H50 H -5.06700 4.81900 -0.81800 1.000 H51 H -6.25500 4.40300 0.45700 1.000 H52 H -3.24200 4.70100 0.67400 1.000 H53 H -4.50700 5.05000 1.89900 1.000 H54 H -4.68900 2.79100 2.54300 1.000 H55 H -3.00700 2.71800 1.93800 1.000 H56 H -0.31600 0.28200 0.22200 1.000 H57 H 1.50900 -1.94100 -0.79600 1.000 H58 H 1.23500 -0.39500 -1.63500 1.000 H59 H 2.28800 -0.65500 1.21700 1.000 H60 H 2.40200 4.16100 -0.80400 1.000 H61 H 0.69300 3.71400 -0.50700 1.000 H62 H 3.02800 3.73700 1.43200 1.000 H63 H 1.29000 4.05900 1.74700 1.000 H64 H 0.75400 1.76900 1.86300 1.000 H65 H 2.47500 1.62000 2.32600 1.000 H66 H 3.86900 -1.52000 -0.53400 1.000 H67 H 3.77000 0.05800 -1.35300 1.000 H68 H 4.61400 1.17400 0.69400 1.000 H69 H 4.71300 -0.40300 1.51300 1.000 H70 H 8.22400 0.34300 -2.33400 1.000 H71 H 8.87300 0.67800 -0.69900 1.000 H72 H 7.64900 -1.88000 -1.78400 1.000 H73 H 8.94100 -1.67600 -0.55400 1.000 H74 H 7.40500 -1.25900 1.17700 1.000 H75 H 6.30400 -2.20400 0.13200 1.000 H76 H -0.58900 -4.21300 2.86500 1.000 H77 H 1.01300 -3.48000 3.18100 1.000 H78 H 0.58500 -0.44700 2.93300 1.000 H79 H -1.15100 -0.23500 2.55700 1.000 H80 H -1.74700 -2.28000 3.56900 1.000 H81 H -0.24300 -1.98900 4.50500 1.000