# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JYV' 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 4.51000 -0.63100 2.10700 1.000 C1 C 4.68600 -1.53400 0.88300 1.000 C2 C 5.50200 -0.79400 -0.17900 1.000 C3 C 4.75200 0.46700 -0.61400 1.000 C4 C 4.57600 1.39300 0.59300 1.000 C5 C -3.56800 2.57900 -0.91700 1.000 C6 C -4.72900 3.25300 -1.05800 1.000 C7 C -4.82300 0.83100 -1.50200 1.000 C8 C -5.12500 -0.61100 -1.82200 1.000 C9 C -6.04800 -2.64900 -0.89800 1.000 C10 C -6.67500 -3.24900 0.36300 1.000 C11 C 5.71000 -1.70700 -1.39000 1.000 C12 C 6.45000 -2.94800 -0.96200 1.000 C13 C 5.86900 -4.19100 -1.12900 1.000 C14 C 6.54800 -5.32900 -0.73700 1.000 C15 C 7.80800 -5.22500 -0.17800 1.000 C16 C 8.38900 -3.98100 -0.01200 1.000 C17 C 7.71200 -2.84300 -0.40800 1.000 C18 C 6.49400 -0.99500 -2.41200 1.000 C19 C 1.22700 6.54700 0.24000 1.000 C20 C -4.39800 -1.39300 0.35100 1.000 C21 C -7.22500 -4.64100 0.04600 1.000 C22 C -2.30000 3.23100 -0.51400 1.000 C23 C -1.29800 2.48000 0.11200 1.000 C24 C -0.10800 3.12700 0.48000 1.000 C25 C 0.03100 4.49200 0.21000 1.000 C26 C -1.01200 5.15700 -0.41300 1.000 C27 C 0.00300 0.92400 1.06500 1.000 C28 C 0.73700 2.09700 1.10500 1.000 C29 C 2.08000 2.27500 1.65400 1.000 C30 C 2.80000 1.11500 2.25500 1.000 C31 C -9.01500 -4.45600 1.66600 1.000 C32 C -8.15200 -6.63500 1.05900 1.000 N33 N -2.11900 4.52300 -0.75300 1.000 N34 N -1.18700 1.15800 0.48200 1.000 N35 N 3.92100 0.64400 1.67300 1.000 N36 N -3.66400 1.28000 -1.16500 1.000 N37 N -5.52000 -1.31300 -0.59400 1.000 N38 N 7.10000 -0.44600 -3.20100 1.000 N39 N -7.82700 -5.21600 1.25600 1.000 O40 O 2.60900 3.36900 1.62200 1.000 O41 O 2.37700 0.59600 3.26700 1.000 O42 O 1.16800 5.15400 0.55200 1.000 S43 S -5.96800 2.09800 -1.54300 1.000 H44 H 3.84700 -1.11300 2.82600 1.000 H45 H 5.48000 -0.44600 2.56800 1.000 H46 H 5.21000 -2.44400 1.17500 1.000 H47 H 3.70800 -1.79100 0.47700 1.000 H48 H 6.47100 -0.51600 0.23600 1.000 H49 H 5.32200 0.98100 -1.38700 1.000 H50 H 3.77300 0.19100 -1.00600 1.000 H51 H 5.55200 1.74300 0.93100 1.000 H52 H 3.95800 2.24600 0.31300 1.000 H53 H -4.87300 4.31100 -0.90000 1.000 H54 H -5.93900 -0.65900 -2.54600 1.000 H55 H -4.23700 -1.08400 -2.24100 1.000 H56 H -5.23700 -3.29100 -1.24000 1.000 H57 H -6.80500 -2.57200 -1.67800 1.000 H58 H -5.91800 -3.32600 1.14300 1.000 H59 H -7.48600 -2.60700 0.70600 1.000 H60 H 4.74100 -1.98600 -1.80500 1.000 H61 H 4.88500 -4.27300 -1.56600 1.000 H62 H 6.09400 -6.30100 -0.86700 1.000 H63 H 8.33800 -6.11400 0.12900 1.000 H64 H 9.37300 -3.90000 0.42500 1.000 H65 H 8.16800 -1.87200 -0.28200 1.000 H66 H 2.18500 6.95200 0.56500 1.000 H67 H 1.12200 6.68200 -0.83700 1.000 H68 H 0.41900 7.06900 0.75200 1.000 H69 H -4.07100 -0.38600 0.61300 1.000 H70 H -4.71700 -1.91700 1.25200 1.000 H71 H -3.57200 -1.93400 -0.11100 1.000 H72 H -7.98200 -4.56400 -0.73500 1.000 H73 H -6.41400 -5.28300 -0.29700 1.000 H74 H -0.91600 6.21200 -0.62800 1.000 H75 H 0.33400 -0.03200 1.44400 1.000 H76 H -9.75400 -4.47600 0.86500 1.000 H77 H -9.44100 -4.90300 2.56400 1.000 H78 H -8.73300 -3.42400 1.87300 1.000 H79 H -7.24200 -7.18800 0.82400 1.000 H80 H -8.59700 -7.03600 1.97000 1.000 H81 H -8.86000 -6.73500 0.23500 1.000 H82 H -1.87300 0.48600 0.34200 1.000