# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'J9S' 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 -0.92500 -1.25800 1.69500 1.000 C1 C -1.52900 -0.41900 0.65700 1.000 C2 C -2.74900 1.96300 -1.81800 1.000 C3 C -0.98400 3.36200 0.47600 1.000 C4 C 0.50500 3.57600 0.56100 1.000 C5 C 1.28400 3.97000 -0.44700 1.000 C6 C 2.93600 3.80900 1.13200 1.000 C7 C -3.51700 -1.01500 -0.75000 1.000 O8 O 6.73300 -0.49200 -1.98800 1.000 C9 C 5.77400 -0.81700 -1.30900 1.000 N10 N 4.59900 -1.06600 -1.91100 1.000 C11 C 3.49100 -1.43600 -1.17900 1.000 C12 C 3.58900 -1.55500 0.22000 1.000 C13 C 4.87400 -1.28100 0.86700 1.000 C14 C 5.92700 -0.92700 0.09000 1.000 C15 C 2.46800 -1.92900 0.96800 1.000 C16 C 1.28300 -2.17700 0.33400 1.000 S17 S -0.12900 -2.64900 1.27700 1.000 O18 O 0.36400 -3.20800 2.48600 1.000 C19 C -1.40300 1.03100 1.04700 1.000 N20 N -1.25700 1.97400 0.09500 1.000 C21 C -1.37200 1.61200 -1.31900 1.000 O22 O -3.09900 1.67700 -3.08200 1.000 O23 O -3.54000 2.50200 -1.08100 1.000 C24 C 2.62600 4.09900 -0.13200 1.000 S25 S 1.48100 3.35200 2.00700 1.000 O26 O -1.43400 1.34900 2.21700 1.000 C27 C -2.98600 -0.77500 0.50800 1.000 O28 O -2.72300 -0.93500 -1.85100 1.000 C29 C -3.34600 -1.15700 -3.11800 1.000 C30 C -4.85900 -1.34300 -0.88400 1.000 C31 C -5.66200 -1.42900 0.23600 1.000 C32 C -5.13000 -1.19000 1.49000 1.000 C33 C -3.79400 -0.86300 1.62600 1.000 O34 O -0.98800 -3.35100 0.38900 1.000 C35 C 1.18300 -2.06200 -1.04600 1.000 C36 C 2.27400 -1.69400 -1.80200 1.000 H37 H -0.98800 -0.99700 2.62700 1.000 H38 H -1.01600 -0.58700 -0.29000 1.000 H39 H -1.43700 3.56900 1.44600 1.000 H40 H -1.40600 4.03400 -0.27200 1.000 H41 H 0.89800 4.17300 -1.43500 1.000 H42 H 3.92900 3.85400 1.55600 1.000 H43 H 4.52900 -0.98500 -2.87600 1.000 H44 H 4.98100 -1.36300 1.93800 1.000 H45 H 6.88600 -0.72400 0.54400 1.000 H46 H 2.53800 -2.02100 2.04200 1.000 H47 H -1.20600 0.54000 -1.43400 1.000 H48 H -0.62600 2.15900 -1.89600 1.000 H49 H -3.96400 1.98900 -3.38000 1.000 H50 H 3.36600 4.40600 -0.85600 1.000 H51 H -3.78500 -2.15500 -3.13700 1.000 H52 H -4.12800 -0.41300 -3.27400 1.000 H53 H -2.60100 -1.07200 -3.90800 1.000 H54 H -5.27500 -1.53000 -1.86300 1.000 H55 H -6.70600 -1.68400 0.13300 1.000 H56 H -5.76000 -1.25800 2.36500 1.000 H57 H -3.38100 -0.67700 2.60600 1.000 H58 H 0.23900 -2.26200 -1.53100 1.000 H59 H 2.18500 -1.60700 -2.87500 1.000