# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'SPN' 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 1.35500 -0.02300 15.98200 1.000 O1 O 0.95700 -0.10800 14.61200 1.000 C2 C 1.23700 2.28800 14.49100 1.000 C3 C 3.15600 0.74100 14.08300 1.000 C4 C 1.64700 0.93100 13.91600 1.000 C5 C 1.29300 0.87700 12.45300 1.000 O6 O 1.28800 1.88900 11.79500 1.000 C7 C 0.94300 -0.44000 11.81000 1.000 C8 C 0.63100 -0.22000 10.35200 1.000 C9 C -0.56400 -0.49300 9.89000 1.000 C10 C -1.66900 -0.87500 10.84000 1.000 C11 C -0.83300 -0.42300 8.40900 1.000 C12 C -0.55700 -1.78800 7.77600 1.000 C13 C -0.82600 -1.71800 6.29500 1.000 C14 C 0.08900 -2.10900 5.44300 1.000 C15 C 1.34900 -2.76800 5.94200 1.000 C16 C -0.11700 -1.89900 3.96500 1.000 C17 C 0.45000 -0.53800 3.55900 1.000 C18 C 0.24300 -0.32800 2.08100 1.000 C19 C -0.32800 0.76800 1.64900 1.000 C20 C -0.86500 1.77600 2.63200 1.000 C21 C -0.44800 1.02200 0.16800 1.000 C22 C -1.76600 0.43700 -0.34300 1.000 C23 C -1.88900 0.69500 -1.84600 1.000 C24 C -3.20700 0.11100 -2.35800 1.000 C25 C -3.32700 0.36400 -3.83800 1.000 C26 C -3.98500 1.62600 -4.33500 1.000 C27 C -2.86100 -0.51100 -4.69300 1.000 C28 C -3.07900 -0.31200 -6.17100 1.000 C29 C -1.73000 -0.33900 -6.89300 1.000 C30 C -1.95200 -0.13700 -8.39400 1.000 C31 C -2.84200 -1.25800 -8.93400 1.000 C32 C -0.60300 -0.16400 -9.11700 1.000 C33 C -0.82500 0.03700 -10.61700 1.000 C34 C 0.50200 0.01100 -11.32900 1.000 C35 C 0.92700 1.07500 -11.96300 1.000 C36 C 0.17100 2.37400 -11.84600 1.000 C37 C 2.17100 1.00100 -12.81000 1.000 C38 C 1.79200 0.61400 -14.24100 1.000 C39 C 3.03600 0.54000 -15.08800 1.000 C40 C 3.40900 -0.60300 -15.60600 1.000 C41 C 4.55600 -0.65000 -16.58100 1.000 C42 C 2.69000 -1.87200 -15.22500 1.000 H43 H 1.06000 0.94400 16.38700 1.000 H44 H 0.87100 -0.81700 16.55100 1.000 H45 H 2.43700 -0.13300 16.05400 1.000 H46 H 0.15000 2.35000 14.53600 1.000 H47 H 1.65000 2.39800 15.49400 1.000 H48 H 1.62100 3.08400 13.85200 1.000 H49 H 3.42700 -0.27700 13.80500 1.000 H50 H 3.68400 1.44500 13.44000 1.000 H51 H 3.43300 0.92000 15.12200 1.000 H52 H 1.78700 -1.12400 11.90200 1.000 H53 H 0.07300 -0.86700 12.30800 1.000 H54 H 1.39200 0.16000 9.68800 1.000 H55 H -1.31500 -0.78300 11.86700 1.000 H56 H -2.52300 -0.21400 10.69000 1.000 H57 H -1.97000 -1.90600 10.65100 1.000 H58 H -1.87500 -0.14900 8.24200 1.000 H59 H -0.18300 0.32500 7.95700 1.000 H60 H 0.48400 -2.06200 7.94300 1.000 H61 H -1.20700 -2.53700 8.22800 1.000 H62 H -1.77400 -1.34600 5.93500 1.000 H63 H 1.27800 -2.92000 7.01900 1.000 H64 H 1.47600 -3.73000 5.44600 1.000 H65 H 2.20400 -2.13000 5.72100 1.000 H66 H 0.39400 -2.68600 3.41200 1.000 H67 H -1.18300 -1.93000 3.74000 1.000 H68 H -0.06100 0.24900 4.11300 1.000 H69 H 1.51600 -0.50600 3.78500 1.000 H70 H 0.56600 -1.08100 1.37800 1.000 H71 H -0.60600 1.46800 3.64600 1.000 H72 H -0.42700 2.75300 2.42700 1.000 H73 H -1.94900 1.83500 2.53600 1.000 H74 H -0.43000 2.09500 -0.01800 1.000 H75 H 0.38400 0.54800 -0.34900 1.000 H76 H -1.78500 -0.63500 -0.15500 1.000 H77 H -2.60000 0.91100 0.17500 1.000 H78 H -1.87000 1.76900 -2.03300 1.000 H79 H -1.05600 0.22100 -2.36500 1.000 H80 H -3.22600 -0.96200 -2.17000 1.000 H81 H -4.04000 0.58500 -1.83900 1.000 H82 H -4.81300 1.36800 -4.99500 1.000 H83 H -4.36100 2.19900 -3.48700 1.000 H84 H -3.25700 2.22400 -4.88300 1.000 H85 H -2.31900 -1.37600 -4.33900 1.000 H86 H -3.71300 -1.11000 -6.55500 1.000 H87 H -3.56300 0.64900 -6.34000 1.000 H88 H -1.09600 0.45900 -6.50900 1.000 H89 H -1.24600 -1.30100 -6.72400 1.000 H90 H -2.43600 0.82400 -8.56300 1.000 H91 H -2.35800 -2.22000 -8.76400 1.000 H92 H -3.80300 -1.23800 -8.41900 1.000 H93 H -3.00000 -1.11400 -10.00200 1.000 H94 H 0.03000 0.63400 -8.73200 1.000 H95 H -0.12000 -1.12600 -8.94700 1.000 H96 H -1.45900 -0.76000 -11.00100 1.000 H97 H -1.30900 0.99900 -10.78600 1.000 H98 H 1.10400 -0.88500 -11.31600 1.000 H99 H -0.65300 2.25200 -11.14400 1.000 H100 H 0.84200 3.15300 -11.48500 1.000 H101 H -0.22000 2.65600 -12.82300 1.000 H102 H 2.66500 1.97300 -12.81600 1.000 H103 H 2.84700 0.25200 -12.39800 1.000 H104 H 1.29800 -0.35700 -14.23500 1.000 H105 H 1.11500 1.36300 -14.65300 1.000 H106 H 3.62000 1.43100 -15.26900 1.000 H107 H 4.71900 -1.68000 -16.90100 1.000 H108 H 4.32100 -0.03300 -17.44900 1.000 H109 H 5.45800 -0.27200 -16.10000 1.000 H110 H 1.96600 -1.65800 -14.43900 1.000 H111 H 2.17300 -2.27200 -16.09700 1.000 H112 H 3.41300 -2.60400 -14.86400 1.000