# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'HY2' 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 10.05600 1.96000 2.35700 1.000 O1 O 5.45700 -3.26400 0.12900 1.000 C2 C 11.32100 1.07100 0.51200 1.000 N3 N 9.98000 0.51100 0.41900 1.000 O4 O 10.23900 -1.22900 -0.99700 1.000 C5 C 6.06700 -2.07100 -0.10800 1.000 C6 C 5.89700 0.29200 -0.62700 1.000 N7 N 7.90600 1.62100 -0.60700 1.000 C8 C 8.33800 2.34900 0.61900 1.000 C9 C 6.30100 -4.37300 0.44400 1.000 C10 C 3.22500 0.12400 -0.85300 1.000 O11 O 3.95600 -1.06100 -0.53000 1.000 C12 C 1.73200 -0.20200 -0.93000 1.000 C13 C 0.95100 1.06600 -1.27600 1.000 N14 N -0.48300 0.75300 -1.34900 1.000 C15 C -1.24000 1.88200 -1.90800 1.000 C16 C -2.71300 1.48800 -2.04200 1.000 N17 N -3.23700 1.10700 -0.72300 1.000 C18 C 9.09900 1.18400 1.41600 1.000 C19 C -2.48000 -0.02200 -0.16400 1.000 C20 C -1.00700 0.37300 -0.03000 1.000 C21 C -4.67100 0.79400 -0.79600 1.000 C22 C -5.23400 0.64700 0.61800 1.000 N23 N -6.66300 0.33500 0.54500 1.000 C24 C -7.04300 -0.95600 0.49400 1.000 O25 O -6.20300 -1.83500 0.50900 1.000 C26 C -8.46900 -1.30900 0.42000 1.000 C27 C -8.90400 -2.62500 0.36400 1.000 C28 C -10.26300 -2.90800 0.29400 1.000 C29 C -11.20100 -1.91600 0.27800 1.000 C30 C 11.46200 1.40200 2.02300 1.000 C31 C -10.80100 -0.56900 0.33200 1.000 C32 C -11.72800 0.48800 0.31700 1.000 C33 C -11.29100 1.78000 0.37200 1.000 C34 C -9.93800 2.08900 0.44200 1.000 C35 C -9.42500 -0.26900 0.40400 1.000 C36 C -8.99200 1.07500 0.45900 1.000 C37 C -7.54900 1.34900 0.53700 1.000 O38 O -7.15300 2.49700 0.59100 1.000 C39 C 8.02400 -0.73200 -0.28300 1.000 C40 C 9.50600 -0.52200 -0.33100 1.000 C41 C 7.44700 -1.97000 -0.03900 1.000 C42 C 5.30500 -0.94400 -0.42300 1.000 C43 C 7.28300 0.40600 -0.52400 1.000 H44 H 8.05700 -2.83000 0.19800 1.000 H45 H 5.29300 1.15500 -0.86400 1.000 H46 H 8.06800 2.01500 -1.47800 1.000 H47 H 9.01700 3.16500 0.37200 1.000 H48 H 10.01100 3.02900 2.14900 1.000 H49 H 8.43700 0.49600 1.94200 1.000 H50 H 9.80600 1.76400 3.40000 1.000 H51 H -1.15300 2.74200 -1.24500 1.000 H52 H -0.84200 2.13700 -2.89000 1.000 H53 H -3.28200 2.33300 -2.42900 1.000 H54 H -2.80300 0.64400 -2.72700 1.000 H55 H -2.87900 -0.27700 0.81800 1.000 H56 H -2.56700 -0.88200 -0.82700 1.000 H57 H -0.43800 -0.47300 0.35700 1.000 H58 H -0.91700 1.21600 0.65400 1.000 H59 H -5.19300 1.59900 -1.31300 1.000 H60 H 12.23000 2.15800 2.18600 1.000 H61 H 11.67200 0.50300 2.60200 1.000 H62 H -4.81100 -0.13900 -1.34200 1.000 H63 H -4.71200 -0.15900 1.13500 1.000 H64 H -5.09300 1.58000 1.16400 1.000 H65 H -12.25000 -2.16600 0.22300 1.000 H66 H -10.58500 -3.93800 0.25100 1.000 H67 H -8.18600 -3.43100 0.37600 1.000 H68 H -12.78600 0.27700 0.26300 1.000 H69 H -12.01500 2.58200 0.35900 1.000 H70 H -9.62300 3.12100 0.48400 1.000 H71 H 12.06600 0.33600 0.20800 1.000 H72 H 3.39400 0.87600 -0.08300 1.000 H73 H 11.40300 1.97500 -0.09000 1.000 H74 H 3.56300 0.50700 -1.81600 1.000 H75 H 5.68900 -5.26000 0.61000 1.000 H76 H 6.98700 -4.55400 -0.38300 1.000 H77 H 6.87100 -4.15100 1.34600 1.000 H78 H 1.56400 -0.95500 -1.70000 1.000 H79 H 1.39500 -0.58600 0.03300 1.000 H80 H 1.11900 1.81900 -0.50600 1.000 H81 H 1.28800 1.45000 -2.23900 1.000 H82 H 7.47800 2.71400 1.18200 1.000