# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0JL' 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 -7.17900 4.11000 -0.79400 1.000 C1 C -6.02400 3.29200 -0.27600 1.000 C2 C -5.77300 2.02300 -0.74700 1.000 N3 N -5.21600 3.75500 0.63300 1.000 S4 S -4.06400 2.54900 0.94300 1.000 C5 C -4.69700 1.41300 -0.18300 1.000 N6 N -4.20900 0.13500 -0.45900 1.000 C7 C -3.12500 -0.30700 0.20800 1.000 C8 C -2.61500 -1.59400 -0.04700 1.000 O9 O -2.58500 0.40900 1.03400 1.000 C10 C -4.84800 -0.63000 -1.39300 1.000 C11 C -4.41800 -1.87000 -1.69600 1.000 C12 C -3.25000 -2.40100 -1.00000 1.000 N13 N -2.55900 -3.54800 -1.03000 1.000 N14 N -1.58800 -3.47900 -0.18700 1.000 N15 N -1.57200 -2.34400 0.42400 1.000 C16 C -0.60600 -1.93000 1.44400 1.000 C17 C -0.67500 -2.89100 2.63300 1.000 C18 C 0.78300 -1.95300 0.85900 1.000 C19 C 1.51800 -0.80700 0.82800 1.000 C20 C 2.81200 -0.82700 0.28300 1.000 C21 C 3.60300 0.33500 0.23200 1.000 C22 C 1.30100 -3.14800 0.36400 1.000 C23 C 2.55100 -3.20400 -0.17000 1.000 C24 C 3.33800 -2.04100 -0.22700 1.000 N25 N 4.56900 -2.06700 -0.74800 1.000 C26 C 5.31200 -0.98900 -0.80000 1.000 C27 C 4.85600 0.24100 -0.31400 1.000 O28 O 5.65300 1.33900 -0.38400 1.000 C29 C 6.94700 1.16600 -0.96500 1.000 C30 C 7.69300 2.50200 -0.95700 1.000 O31 O 7.93600 2.90300 0.39300 1.000 C32 C 8.63200 4.14600 0.51400 1.000 H33 H -8.06300 3.91500 -0.18700 1.000 H34 H -6.92700 5.16900 -0.74000 1.000 H35 H -7.38200 3.83600 -1.82900 1.000 H36 H -6.38200 1.55000 -1.50300 1.000 H37 H -5.71600 -0.23200 -1.89800 1.000 H38 H -4.93400 -2.46400 -2.43700 1.000 H39 H -0.84200 -0.92000 1.78000 1.000 H40 H -0.43800 -3.90100 2.29700 1.000 H41 H 0.04400 -2.58300 3.39200 1.000 H42 H -1.67900 -2.87400 3.05600 1.000 H43 H 1.10800 0.11200 1.21900 1.000 H44 H 3.23200 1.27600 0.61200 1.000 H45 H 0.70000 -4.04400 0.40400 1.000 H46 H 2.93700 -4.13800 -0.55000 1.000 H47 H 6.30100 -1.05100 -1.22800 1.000 H48 H 7.50900 0.43200 -0.38800 1.000 H49 H 6.84000 0.81600 -1.99200 1.000 H50 H 8.64300 2.39100 -1.48000 1.000 H51 H 7.08900 3.25800 -1.45800 1.000 H52 H 9.60100 4.06800 0.02200 1.000 H53 H 8.04700 4.93600 0.04300 1.000 H54 H 8.77700 4.38000 1.56800 1.000