# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'C0T' 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 3.93900 -1.05300 -1.22600 1.000 N1 N 3.24900 1.25200 -1.59800 1.000 O2 O 4.93000 -0.82800 -1.89200 1.000 S3 S -1.43000 -3.09800 -1.19000 1.000 C4 C 3.00800 -0.00900 -1.03800 1.000 N5 N -4.50400 4.30600 0.01700 1.000 O6 O 5.18500 1.43500 -0.52700 1.000 S7 S -2.42500 -3.90700 0.40900 1.000 C8 C 1.88000 -0.22600 -0.31800 1.000 O9 O 4.53700 3.19400 -1.71600 1.000 S10 S -4.34700 -3.24700 0.13900 1.000 C11 C 1.61300 -1.51900 0.21400 1.000 O12 O 2.27300 -3.77900 0.69200 1.000 C13 C 2.76300 -2.46100 0.49000 1.000 O14 O -0.40300 0.53600 -0.24700 1.000 C15 C 3.76500 -2.42400 -0.65100 1.000 O16 O -5.15900 4.69000 1.26800 1.000 C17 C 4.35400 1.94200 -1.25400 1.000 O18 O -1.40600 2.40800 0.72200 1.000 C19 C 5.75100 3.87700 -1.30400 1.000 O20 O -2.53300 0.41300 -2.13700 1.000 C21 C 3.41000 -1.97400 1.73700 1.000 O22 O -4.90600 1.84200 -1.42200 1.000 C23 C 3.43000 -1.25100 2.69900 1.000 C24 C 2.96000 -0.58100 3.87800 1.000 C25 C 2.10100 0.45200 3.80300 1.000 C26 C 1.62500 0.94700 2.54900 1.000 C27 C 1.12700 1.16100 1.48700 1.000 C28 C 0.94900 0.90900 0.02700 1.000 C29 C 0.35700 -1.89700 0.46700 1.000 C30 C -0.74100 -1.56400 -0.50900 1.000 C31 C -5.13300 -4.62700 -0.73700 1.000 C32 C -1.27600 1.64400 -0.47900 1.000 C33 C -2.65200 1.12800 -0.90600 1.000 C34 C -3.59900 2.31800 -1.09400 1.000 C35 C -3.65700 3.12100 0.20900 1.000 C36 C -2.24200 3.56000 0.59300 1.000 C37 C -2.28400 4.31100 1.92500 1.000 H38 H 2.62000 1.62900 -2.23300 1.000 H39 H 2.96400 -4.43200 0.87300 1.000 H40 H 3.42000 -3.09400 -1.43800 1.000 H41 H 4.73000 -2.77700 -0.28800 1.000 H42 H 5.77400 4.87300 -1.74500 1.000 H43 H 5.77000 3.96000 -0.21800 1.000 H44 H 6.61900 3.31000 -1.64100 1.000 H45 H -2.00700 -0.39600 -2.07300 1.000 H46 H -4.94100 1.31800 -2.23400 1.000 H47 H 3.30300 -0.92000 4.84800 1.000 H48 H 1.76200 0.92400 4.72000 1.000 H49 H 1.21500 1.79900 -0.54400 1.000 H50 H 0.12900 -2.44200 1.37200 1.000 H51 H -0.33600 -0.95700 -1.31900 1.000 H52 H -1.52700 -1.00900 0.00300 1.000 H53 H -4.61400 -4.80200 -1.68000 1.000 H54 H -5.08100 -5.52500 -0.12200 1.000 H55 H -6.17600 -4.38300 -0.93700 1.000 H56 H -0.86200 2.27300 -1.26700 1.000 H57 H -3.04800 0.46500 -0.13700 1.000 H58 H -3.23000 2.95300 -1.90000 1.000 H59 H -4.07500 2.50000 1.00100 1.000 H60 H -1.84200 4.21400 -0.18100 1.000 H61 H -2.68400 3.65600 2.69900 1.000 H62 H -1.27600 4.62300 2.19800 1.000 H63 H -2.92300 5.18900 1.82700 1.000 H64 H -5.18200 4.15200 -0.71400 1.000 H65 H -5.72800 5.46800 1.19100 1.000