# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CDS' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy O0 O -3.46900 -2.51200 0.38100 1.000 C1 C -3.33100 -1.32400 0.16600 1.000 C2 C -4.51400 -0.43100 0.15400 1.000 C3 C -4.36400 0.98900 -0.23200 1.000 N4 N -3.21400 1.48900 -0.68600 1.000 C5 C -3.20300 2.74800 -0.99300 1.000 N6 N -2.10800 3.44200 -1.47900 1.000 S7 S -4.79500 3.44000 -0.69700 1.000 C8 C -5.38100 1.86900 -0.15400 1.000 N9 N -5.68500 -0.89600 0.48400 1.000 O10 O -5.84900 -2.27800 0.74900 1.000 C11 C -7.18400 -2.64800 1.09800 1.000 N12 N -2.10200 -0.81800 -0.05800 1.000 C13 C -0.92200 -1.67800 0.06700 1.000 C14 C -0.48400 -1.72400 1.50800 1.000 O15 O -1.09400 -1.10200 2.34500 1.000 C16 C 0.21100 -1.11500 -0.79300 1.000 S17 S 0.67600 0.54300 -0.19900 1.000 N18 N 1.40000 -1.97200 -0.67500 1.000 C19 C 2.64700 -1.52500 -1.09600 1.000 C20 C 3.68500 -2.54000 -1.26300 1.000 O21 O 4.82500 -2.20700 -1.52900 1.000 O22 O 3.38000 -3.84700 -1.12200 1.000 C23 C 2.99600 -0.25700 -1.36500 1.000 C24 C 2.08100 0.93100 -1.28600 1.000 C25 C 4.32700 -0.02200 -1.75300 1.000 C26 C 5.16200 0.66800 -0.93200 1.000 C27 C 4.75600 0.98400 0.38900 1.000 C28 C 5.43700 1.77500 1.27700 1.000 C29 C 6.75100 2.43600 0.95100 1.000 N30 N 4.83800 1.90500 2.43600 1.000 C31 C 3.71300 1.29100 2.59900 1.000 S32 S 3.28200 0.43600 1.18300 1.000 H33 H -1.26400 2.98400 -1.61500 1.000 H34 H -2.18500 4.38700 -1.68500 1.000 H35 H -6.38300 1.65100 0.18400 1.000 H36 H -7.22600 -3.72100 1.28500 1.000 H37 H -7.48700 -2.11000 1.99600 1.000 H38 H -7.85700 -2.39500 0.27800 1.000 H39 H -1.99900 0.11500 -0.30000 1.000 H40 H -1.16900 -2.68400 -0.27000 1.000 H41 H 0.37600 -2.31200 1.79200 1.000 H42 H -0.10500 -1.06200 -1.83500 1.000 H43 H 1.31300 -2.86100 -0.29800 1.000 H44 H 4.13100 -4.44300 -1.25000 1.000 H45 H 1.71300 1.17400 -2.28300 1.000 H46 H 2.62700 1.78400 -0.88300 1.000 H47 H 4.68600 -0.38900 -2.70300 1.000 H48 H 6.13500 0.97500 -1.28600 1.000 H49 H 6.56700 3.42000 0.52200 1.000 H50 H 7.34000 2.54100 1.86200 1.000 H51 H 7.29800 1.82300 0.23400 1.000 H52 H 3.12300 1.31700 3.50400 1.000