# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '00K' 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 -1.50100 2.15200 -0.98400 1.000 N1 N -2.78000 3.24000 0.62300 1.000 O2 O -2.82600 -0.16400 -0.14900 1.000 C3 C -1.21700 3.67100 -1.08300 1.000 N4 N -2.53100 2.01300 0.05800 1.000 O5 O -0.21100 0.81600 0.47200 1.000 C6 C -2.49000 4.26000 -0.41500 1.000 N7 N -3.84200 -0.11400 2.49900 1.000 C8 C -4.18600 3.31100 1.04400 1.000 C9 C -4.45500 2.20500 2.06400 1.000 C10 C -4.22700 0.83200 1.44300 1.000 C11 C -3.14900 0.86800 0.40000 1.000 C12 C -0.25100 1.41100 -0.58400 1.000 C13 C -5.53000 0.35500 0.79700 1.000 C14 C -5.35100 -1.05200 0.28700 1.000 C15 C -4.89700 -1.26900 -1.00000 1.000 C16 C -4.73300 -2.55900 -1.46700 1.000 C17 C -5.02300 -3.63400 -0.64700 1.000 C18 C -5.47700 -3.41700 0.64100 1.000 C19 C -5.63600 -2.12700 1.10900 1.000 C20 C 3.24500 1.31000 -1.71500 1.000 N21 N 0.82200 1.41000 -1.40000 1.000 O22 O 3.12500 1.11600 -3.12600 1.000 C23 C 2.03700 0.68900 -1.01100 1.000 C24 C 1.91000 -0.78100 -1.41700 1.000 C25 C 0.65200 -2.90400 -1.02400 1.000 C26 C -0.47800 -3.55700 -0.22700 1.000 C27 C 0.77900 -1.43400 -0.61900 1.000 C28 C 4.50700 0.65000 -1.22300 1.000 O29 O 5.18600 -0.00600 -1.98500 1.000 N30 N -0.60000 -4.96800 -0.61600 1.000 C31 C 6.10900 0.14700 0.54400 1.000 C32 C 5.80600 -1.29900 0.94000 1.000 C33 C 7.08800 -1.96900 1.44000 1.000 C34 C 7.62000 -1.20800 2.65600 1.000 C35 C 7.92200 0.23900 2.25900 1.000 C36 C 6.64100 0.90800 1.75900 1.000 N37 N 4.88100 0.78900 0.06500 1.000 H38 H -1.87400 1.77500 -1.93600 1.000 H39 H -0.32100 3.93900 -0.52400 1.000 H40 H -1.13800 3.98800 -2.12300 1.000 H41 H -3.30900 4.33300 -1.13100 1.000 H42 H -2.28100 5.22900 0.03800 1.000 H43 H -3.68400 -1.03500 2.11900 1.000 H44 H -3.03000 0.21500 3.00000 1.000 H45 H -4.38200 4.28200 1.49800 1.000 H46 H -4.83400 3.17400 0.17800 1.000 H47 H -3.78400 2.33000 2.91400 1.000 H48 H -5.48700 2.27700 2.40800 1.000 H49 H -6.33100 0.37500 1.53600 1.000 H50 H -5.78500 1.01200 -0.03400 1.000 H51 H -4.67000 -0.43000 -1.64100 1.000 H52 H -4.37900 -2.72900 -2.47400 1.000 H53 H -4.89500 -4.64200 -1.01200 1.000 H54 H -5.70300 -4.25600 1.28100 1.000 H55 H -5.98600 -1.95700 2.11700 1.000 H56 H 0.78900 1.88500 -2.24500 1.000 H57 H 3.08500 0.18800 -3.39400 1.000 H58 H 2.17000 0.75800 0.06800 1.000 H59 H 1.68800 -0.84600 -2.48200 1.000 H60 H 1.58900 -3.42000 -0.81600 1.000 H61 H 0.43000 -2.96900 -2.08900 1.000 H62 H -0.25600 -3.49200 0.83800 1.000 H63 H 1.00100 -1.36900 0.44600 1.000 H64 H 0.27500 -5.45400 -0.49300 1.000 H65 H 3.28400 2.37700 -1.49700 1.000 H66 H 2.84700 -1.29700 -1.20800 1.000 H67 H -1.41500 -3.04000 -0.43500 1.000 H68 H -0.15800 -0.91700 -0.82700 1.000 H69 H -1.34100 -5.42200 -0.10300 1.000 H70 H 5.05800 -1.31000 1.73200 1.000 H71 H 7.83700 -1.95900 0.64800 1.000 H72 H 8.53300 -1.68500 3.01200 1.000 H73 H 8.67100 0.24900 1.46700 1.000 H74 H 6.85600 1.93900 1.47700 1.000 H75 H 4.33900 1.31300 0.67400 1.000 H76 H 6.85700 0.15800 -0.24900 1.000 H77 H 5.89200 0.89800 2.55100 1.000 H78 H 8.30200 0.78100 3.12500 1.000 H79 H 6.87200 -1.21900 3.44800 1.000 H80 H 6.87300 -3.00000 1.72300 1.000 H81 H 5.42700 -1.84200 0.07400 1.000