# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JDG' 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 9.31100 0.14800 0.35300 1.000 C1 C 8.52200 -1.60100 -1.08400 1.000 C2 C 0.53500 0.39200 0.26900 1.000 C3 C -1.91300 -0.21000 0.37200 1.000 C4 C -4.86300 -1.24100 -1.62000 1.000 C5 C -6.36800 -0.96700 -1.58700 1.000 C6 C -8.97500 -2.06300 -1.71100 1.000 C7 C -6.38900 -1.05300 0.83500 1.000 C8 C 0.38500 -4.56800 0.47800 1.000 C9 C 1.16800 -2.32500 0.37500 1.000 C10 C 2.18500 -1.37300 0.31300 1.000 C11 C 4.47500 -0.73900 0.24300 1.000 C12 C 5.86800 -1.37100 0.24500 1.000 C13 C 6.92800 -0.27000 0.17600 1.000 C14 C 10.27000 0.03300 -0.85100 1.000 C15 C 10.03900 -1.42000 -1.34300 1.000 C16 C 1.87200 -0.02900 0.26100 1.000 C17 C -0.48600 -0.56300 0.34000 1.000 C18 C -4.22000 -0.68600 -0.34700 1.000 C19 C -8.42100 -1.48000 -0.41000 1.000 C20 C -9.00400 -2.24300 0.78100 1.000 C21 C -4.88400 -1.33000 0.87400 1.000 C22 C -1.53100 1.68400 1.80200 1.000 C23 C -0.58200 2.36700 0.85800 1.000 C24 C -0.68000 3.86100 0.68600 1.000 C25 C -2.02500 4.21400 0.04900 1.000 C26 C -2.12400 5.73100 -0.12500 1.000 C27 C -0.98900 6.21600 -1.02900 1.000 C28 C 0.35600 5.86300 -0.39200 1.000 C29 C 0.45600 4.34600 -0.21800 1.000 C30 C -0.15200 -1.92500 0.38800 1.000 N31 N 8.26600 -0.87700 0.17900 1.000 N32 N -2.78800 -0.99600 -0.34600 1.000 N33 N -6.95700 -1.60400 -0.40200 1.000 N34 N -2.39800 0.78900 1.02800 1.000 N35 N 0.30200 1.73200 0.19900 1.000 O36 O 1.47700 -3.64800 0.41900 1.000 O37 O 3.48500 -1.76800 0.30700 1.000 H38 H 9.85600 -0.03100 1.28000 1.000 H39 H 8.85800 1.14000 0.37600 1.000 H40 H 7.94400 -1.16200 -1.89700 1.000 H41 H 8.27900 -2.65800 -0.97400 1.000 H42 H -4.69000 -2.31600 -1.67700 1.000 H43 H -4.42400 -0.75500 -2.49100 1.000 H44 H -6.54100 0.10800 -1.54400 1.000 H45 H -6.83200 -1.37400 -2.48600 1.000 H46 H -8.70000 -3.11500 -1.78300 1.000 H47 H -10.06100 -1.97100 -1.71600 1.000 H48 H -8.56000 -1.51900 -2.55900 1.000 H49 H -6.86600 -1.52200 1.69500 1.000 H50 H -6.56100 0.02300 0.86600 1.000 H51 H 0.77000 -5.58800 0.50900 1.000 H52 H -0.20500 -4.37500 1.37400 1.000 H53 H -0.24300 -4.44400 -0.40400 1.000 H54 H 4.37300 -0.08100 1.10600 1.000 H55 H 4.34000 -0.16200 -0.67200 1.000 H56 H 6.00300 -1.94900 1.16000 1.000 H57 H 5.97100 -2.02900 -0.61800 1.000 H58 H 6.79300 0.30800 -0.73800 1.000 H59 H 6.82600 0.38700 1.04000 1.000 H60 H 10.00200 0.75000 -1.62700 1.000 H61 H 11.30400 0.17300 -0.53500 1.000 H62 H 10.62200 -2.12900 -0.75600 1.000 H63 H 10.26700 -1.51300 -2.40500 1.000 H64 H 2.66300 0.70400 0.21300 1.000 H65 H -4.35800 0.39500 -0.31000 1.000 H66 H -8.69600 -0.42800 -0.33700 1.000 H67 H -8.72800 -3.29500 0.70800 1.000 H68 H -8.60900 -1.82800 1.70800 1.000 H69 H -10.09000 -2.15100 0.77500 1.000 H70 H -4.45900 -0.90700 1.78400 1.000 H71 H -4.71100 -2.40600 0.85700 1.000 H72 H -0.96700 1.10700 2.53300 1.000 H73 H -2.13700 2.43100 2.31400 1.000 H74 H -0.60100 4.34500 1.66000 1.000 H75 H -2.10400 3.73100 -0.92500 1.000 H76 H -2.83400 3.86900 0.69200 1.000 H77 H -3.08300 5.98300 -0.58000 1.000 H78 H -2.04600 6.21500 0.84800 1.000 H79 H -1.06800 5.73300 -2.00300 1.000 H80 H -1.06000 7.29700 -1.15300 1.000 H81 H 1.16500 6.20900 -1.03600 1.000 H82 H 0.43500 6.34600 0.58200 1.000 H83 H 1.41400 4.09500 0.23600 1.000 H84 H 0.37700 3.86300 -1.19100 1.000 H85 H -0.93600 -2.66600 0.43700 1.000 H86 H -2.45600 -1.75500 -0.85000 1.000