# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'J1M' 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 -2.29300 -0.50200 -0.51700 1.000 C1 C -4.45300 -1.18900 -1.30800 1.000 C2 C -5.05500 -0.31900 -0.40700 1.000 O3 O -6.40900 -0.23400 -0.34900 1.000 C4 C -6.96100 0.68000 0.60000 1.000 C5 C -8.46600 0.63900 0.52100 1.000 C6 C -10.55500 -0.28600 1.23600 1.000 C7 C -11.22500 0.56300 0.37500 1.000 C8 C -9.13500 1.48400 -0.34400 1.000 C9 C -4.27400 0.46300 0.43500 1.000 C10 C -2.90000 0.37000 0.38700 1.000 C11 C 6.11700 1.70600 -0.07600 1.000 O12 O 8.00500 3.07000 0.47500 1.000 C13 C 5.83200 0.07700 -1.92400 1.000 C14 C 5.52200 0.37500 -0.45600 1.000 C15 C 4.00600 0.41700 -0.25300 1.000 C16 C 3.38600 -0.88300 -0.76700 1.000 C17 C 1.23500 -0.30200 -1.76000 1.000 C18 C -0.11100 -0.20300 -1.72800 1.000 C19 C -0.81700 -0.60500 -0.57100 1.000 C20 C -0.10300 -1.09700 0.51200 1.000 C21 C 1.29300 -1.17900 0.42600 1.000 C22 C -3.08000 -1.28200 -1.36500 1.000 C23 C -9.17500 -0.24800 1.30900 1.000 C24 C -10.51500 1.44600 -0.41700 1.000 C25 C 5.63300 -0.45700 2.23400 1.000 N26 N 1.92600 -0.79000 -0.69600 1.000 N27 N 7.44600 1.81900 0.11900 1.000 O28 O 1.93700 -1.61000 1.37100 1.000 O29 O 5.40100 2.67600 0.05300 1.000 O30 O 5.64700 -2.16900 0.22900 1.000 O31 O 7.65000 -0.79600 0.57000 1.000 S32 S 6.23500 -0.92600 0.58900 1.000 H33 H -5.06300 -1.79600 -1.96100 1.000 H34 H -6.64300 0.39900 1.60400 1.000 H35 H -6.61300 1.68900 0.37800 1.000 H36 H -11.11000 -0.97600 1.85400 1.000 H37 H -12.30400 0.53600 0.32000 1.000 H38 H -8.58100 2.17400 -0.96200 1.000 H39 H -4.74500 1.13800 1.13500 1.000 H40 H -2.29500 0.97100 1.04900 1.000 H41 H 8.96500 3.05300 0.59300 1.000 H42 H 6.91200 0.04600 -2.06800 1.000 H43 H 5.40200 -0.88600 -2.19800 1.000 H44 H 5.40400 0.85800 -2.55200 1.000 H45 H 3.78400 0.53100 0.80800 1.000 H46 H 3.59000 1.26100 -0.80400 1.000 H47 H 3.69000 -1.04700 -1.80100 1.000 H48 H 3.72700 -1.71600 -0.15200 1.000 H49 H 1.77100 0.00600 -2.64600 1.000 H50 H -0.64600 0.18300 -2.58300 1.000 H51 H -0.61600 -1.41100 1.40900 1.000 H52 H -2.61200 -1.95800 -2.06600 1.000 H53 H -8.65200 -0.91100 1.98100 1.000 H54 H -11.03900 2.10700 -1.09200 1.000 H55 H 5.99700 -1.17200 2.97200 1.000 H56 H 5.99700 0.54000 2.48400 1.000 H57 H 4.54300 -0.45600 2.23600 1.000 H58 H 8.01900 1.04400 0.01500 1.000