# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JTT' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy O0 O 0.72800 -1.63500 0.40800 1.000 C1 C 1.09400 -0.50700 0.13600 1.000 C2 C 2.52500 -0.19300 0.08100 1.000 S3 S 3.23100 1.37900 -0.28700 1.000 C4 C 3.54300 -1.06000 0.31100 1.000 C5 C 3.32200 -2.50800 0.66400 1.000 N6 N 4.73500 -0.52900 0.19900 1.000 C7 C 4.80100 0.72700 -0.10700 1.000 C8 C 6.08100 1.50500 -0.27600 1.000 N9 N 0.18300 0.45400 -0.12100 1.000 C10 C -1.17500 0.13000 -0.18400 1.000 C11 C -1.56700 -1.11900 -0.68000 1.000 C12 C -2.88100 -1.46100 -0.75200 1.000 C13 C -3.86600 -0.55300 -0.32500 1.000 C14 C -3.47700 0.71400 0.17900 1.000 C15 C -2.11400 1.04100 0.24800 1.000 C16 C -5.23100 -0.87900 -0.38800 1.000 C17 C -6.16000 0.02200 0.03400 1.000 C18 C -5.77800 1.26800 0.52900 1.000 C19 C -4.46500 1.61700 0.61100 1.000 H20 H 3.28400 -3.10300 -0.24900 1.000 H21 H 4.14000 -2.85800 1.29300 1.000 H22 H 2.38000 -2.61100 1.20300 1.000 H23 H 5.84600 2.53900 -0.52900 1.000 H24 H 6.64800 1.47800 0.65400 1.000 H25 H 6.67300 1.06100 -1.07600 1.000 H26 H 0.47100 1.36900 -0.26300 1.000 H27 H -0.81600 -1.82100 -1.01100 1.000 H28 H -3.16800 -2.42800 -1.13800 1.000 H29 H -1.80300 2.00200 0.63000 1.000 H30 H -5.54300 -1.84000 -0.77000 1.000 H31 H -7.20800 -0.23100 -0.01700 1.000 H32 H -6.53500 1.96300 0.86100 1.000 H33 H -4.18400 2.58500 0.99700 1.000