# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'C20' 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 -0.10200 0.29000 -7.83100 1.000 C1 C 0.28900 -0.33700 -6.51800 1.000 O2 O 0.72900 -1.46700 -6.49400 1.000 N3 N 0.15000 0.35600 -5.37100 1.000 C4 C 0.53100 -0.25300 -4.09500 1.000 C5 C 2.00100 0.05100 -3.80200 1.000 C6 C 2.88300 -0.63400 -4.84700 1.000 C7 C 2.22800 1.56300 -3.85700 1.000 C8 C -0.32800 0.30900 -2.99200 1.000 O9 O -0.94100 1.34000 -3.16800 1.000 N10 N -0.41400 -0.33300 -1.81100 1.000 C11 C -1.32900 0.15600 -0.77600 1.000 C12 C -2.69600 -0.50800 -0.94700 1.000 C13 C -3.25100 -0.17300 -2.30800 1.000 C14 C -2.97500 -0.99100 -3.38700 1.000 C15 C -3.48400 -0.68400 -4.63500 1.000 C16 C -4.26900 0.44000 -4.80300 1.000 C17 C -4.54600 1.25800 -3.72300 1.000 C18 C -4.04000 0.94800 -2.47500 1.000 C19 C -0.76500 -0.18300 0.60400 1.000 O20 O -0.62400 -1.60000 0.72500 1.000 C21 C 0.60100 0.48100 0.77500 1.000 N22 N 1.14200 0.15500 2.10100 1.000 C23 C 2.37400 0.94000 2.26000 1.000 C24 C 3.47200 0.35000 1.37300 1.000 C25 C 4.70700 1.25200 1.42300 1.000 C26 C 5.80600 0.66200 0.53700 1.000 C27 C 6.17300 -0.73400 1.04100 1.000 C28 C 4.93800 -1.63600 0.99100 1.000 C29 C 3.84000 -1.04600 1.87800 1.000 N30 N 0.25000 0.63400 3.01800 1.000 C31 C -0.25600 -0.18600 3.95900 1.000 O32 O 0.02500 -1.36600 3.94900 1.000 C33 C -1.17200 0.36000 5.02200 1.000 N34 N -2.06300 -0.70200 5.49400 1.000 C35 C -0.33900 0.88400 6.19400 1.000 C36 C 0.53200 -0.24500 6.74500 1.000 C37 C 0.55400 2.02800 5.71200 1.000 C38 C -3.29700 -0.39800 5.94200 1.000 O39 O -3.67000 0.75500 5.95600 1.000 C40 C -4.21300 -1.49200 6.42700 1.000 H41 H 0.49000 1.19000 -7.99400 1.000 H42 H 0.07900 -0.41600 -8.64000 1.000 H43 H -1.16000 0.55100 -7.80700 1.000 H44 H -0.20100 1.26000 -5.39000 1.000 H45 H 0.38800 -1.33300 -4.15100 1.000 H46 H 2.25900 -0.31800 -2.81000 1.000 H47 H 3.93000 -0.41600 -4.63900 1.000 H48 H 2.72100 -1.71100 -4.80900 1.000 H49 H 2.62500 -0.26400 -5.84000 1.000 H50 H 2.04100 1.92300 -4.86800 1.000 H51 H 1.54800 2.05800 -3.16300 1.000 H52 H 3.25800 1.78600 -3.57700 1.000 H53 H 0.12800 -1.11900 -1.64500 1.000 H54 H -1.43600 1.23700 -0.86800 1.000 H55 H -2.58800 -1.58900 -0.85500 1.000 H56 H -3.37600 -0.14400 -0.17700 1.000 H57 H -2.36200 -1.87100 -3.25600 1.000 H58 H -3.26900 -1.32300 -5.47900 1.000 H59 H -4.66600 0.68100 -5.77800 1.000 H60 H -5.15800 2.13800 -3.85500 1.000 H61 H -4.25600 1.58700 -1.63100 1.000 H62 H -1.44500 0.18000 1.37400 1.000 H63 H -0.01600 -1.88100 0.02800 1.000 H64 H 1.28100 0.11700 0.00500 1.000 H65 H 0.49300 1.56200 0.68300 1.000 H66 H 2.18600 1.97300 1.96700 1.000 H67 H 2.69200 0.90900 3.30200 1.000 H68 H 3.11300 0.28200 0.34600 1.000 H69 H 4.44500 2.24700 1.06400 1.000 H70 H 5.06600 1.31900 2.45000 1.000 H71 H 5.44700 0.59400 -0.48900 1.000 H72 H 6.68600 1.30400 0.57200 1.000 H73 H 6.95600 -1.15500 0.40900 1.000 H74 H 6.53200 -0.66700 2.06800 1.000 H75 H 4.57900 -1.70300 -0.03500 1.000 H76 H 5.20000 -2.63100 1.35000 1.000 H77 H 4.19900 -0.97900 2.90500 1.000 H78 H 2.96000 -1.68800 1.84200 1.000 H79 H -0.01700 1.56600 2.99200 1.000 H80 H -1.76600 1.17400 4.60700 1.000 H81 H -1.76500 -1.62500 5.48300 1.000 H82 H -1.00300 1.24700 6.97900 1.000 H83 H 1.05300 0.09900 7.63800 1.000 H84 H -0.09600 -1.09900 6.99900 1.000 H85 H 1.26100 -0.54300 5.99200 1.000 H86 H 1.23600 1.66000 4.94600 1.000 H87 H -0.06500 2.82300 5.29600 1.000 H88 H 1.12900 2.41900 6.55200 1.000 H89 H -5.16000 -1.05700 6.74800 1.000 H90 H -4.39400 -2.20000 5.61800 1.000 H91 H -3.74800 -2.01000 7.26600 1.000