# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'DPS' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy N0 N 0.53800 1.05400 3.26000 1.000 C1 C 2.06800 1.22600 1.40200 1.000 C2 C 2.29800 1.24500 0.04000 1.000 C3 C 1.24200 1.11300 -0.84200 1.000 C4 C -0.04700 0.96700 -0.36600 1.000 N5 N -0.28200 0.71600 -6.57300 1.000 C6 C 0.77700 -1.44100 -2.85700 1.000 C7 C -1.20300 -0.29900 9.79400 1.000 C8 C -0.53500 -0.35000 5.57500 1.000 C9 C -1.62000 -1.38100 9.04100 1.000 O10 O 2.77800 1.81400 -2.74800 1.000 O11 O 0.30700 1.51600 -3.17700 1.000 C12 C 0.77400 1.07400 1.88400 1.000 C13 C -0.28400 0.94100 0.99400 1.000 S14 S 1.54000 1.13800 -2.57900 1.000 C15 C 0.96600 -0.24800 5.29200 1.000 C16 C -1.24500 0.84300 4.92900 1.000 C17 C -0.90700 0.88200 3.43700 1.000 C18 C 1.18800 -0.15200 3.78200 1.000 C19 C -1.40400 -1.39800 7.67600 1.000 C20 C -0.77100 -0.33200 7.06400 1.000 C21 C -0.34900 0.74600 7.81700 1.000 C22 C -0.56900 0.76500 9.18200 1.000 N23 N 1.81200 -0.42300 -3.05700 1.000 C24 C 0.37300 -2.03000 -4.21000 1.000 C25 C 1.31400 -2.53700 -1.97300 1.000 O26 O 0.56600 -3.15400 -1.25300 1.000 O27 O 2.62500 -2.82700 -1.98500 1.000 C28 C -3.94200 0.74700 -5.83000 1.000 C29 C -2.78300 1.15900 -6.45000 1.000 C30 C -1.57600 0.54000 -6.14000 1.000 C31 C -1.56100 -0.50500 -5.19800 1.000 C32 C -2.74700 -0.90200 -4.57800 1.000 C33 C -3.92100 -0.28000 -4.89800 1.000 C34 C 0.54500 -0.17100 -5.94000 1.000 C35 C -0.16400 -0.93400 -5.09400 1.000 H36 H 2.89300 1.32900 2.09100 1.000 H37 H 3.30300 1.36300 -0.33500 1.000 H38 H -0.87000 0.86400 -1.05800 1.000 H39 H 0.00100 1.37100 -7.23000 1.000 H40 H -0.09200 -0.98600 -2.38400 1.000 H41 H -1.37300 -0.28600 10.86100 1.000 H42 H -0.92400 -1.27800 5.15400 1.000 H43 H -2.11600 -2.21300 9.52000 1.000 H44 H -1.29100 0.82300 1.36500 1.000 H45 H 1.36800 0.64100 5.77700 1.000 H46 H 1.47000 -1.13400 5.67900 1.000 H47 H -0.91000 1.76500 5.40200 1.000 H48 H -2.32300 0.73800 5.05600 1.000 H49 H -1.43200 1.71400 2.96900 1.000 H50 H -1.22100 -0.05100 2.97000 1.000 H51 H 0.76400 -1.03100 3.29600 1.000 H52 H 2.25700 -0.10600 3.57500 1.000 H53 H -1.73000 -2.24300 7.08800 1.000 H54 H 0.14500 1.57800 7.33900 1.000 H55 H -0.24400 1.61000 9.77000 1.000 H56 H 2.65600 -0.66400 -3.46900 1.000 H57 H 1.24300 -2.48500 -4.68300 1.000 H58 H -0.39600 -2.78700 -4.06100 1.000 H59 H 2.97000 -3.53000 -1.41800 1.000 H60 H -4.87800 1.23000 -6.07200 1.000 H61 H -2.81000 1.96000 -7.17400 1.000 H62 H -2.73700 -1.70100 -3.85200 1.000 H63 H -4.83900 -0.59100 -4.42200 1.000 H64 H 1.61100 -0.24500 -6.09700 1.000