# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JM4' 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 -6.37000 -0.33600 -0.07600 1.000 N1 N -5.20300 1.77000 0.25400 1.000 C2 C 1.04500 -0.09200 0.12300 1.000 C3 C 2.29300 0.63700 -0.30400 1.000 C4 C 3.52300 -0.11500 0.20800 1.000 S5 S 5.02500 0.76200 -0.30700 1.000 C6 C 6.35300 -0.26500 0.38200 1.000 C7 C 6.34200 -1.63600 -0.29700 1.000 C8 C 7.70200 0.41500 0.13700 1.000 C9 C -5.12800 0.45500 -0.39700 1.000 C10 C -3.89800 -0.29700 0.11500 1.000 C11 C -1.40000 -0.30900 0.19300 1.000 N12 N -0.18700 0.39900 -0.22200 1.000 C13 C -2.63000 0.44300 -0.31900 1.000 N14 N 1.13600 -1.17900 0.81700 1.000 O15 O -6.72300 -1.37300 -0.85100 1.000 O16 O -7.04400 -0.03900 0.88100 1.000 H17 H -5.27600 1.67500 1.25500 1.000 H18 H -4.41200 2.34400 0.00200 1.000 H19 H 2.32700 0.69100 -1.39200 1.000 H20 H 2.28500 1.64500 0.11000 1.000 H21 H 3.48900 -0.17000 1.29600 1.000 H22 H 3.53100 -1.12300 -0.20600 1.000 H23 H 6.19800 -0.38900 1.45400 1.000 H24 H 7.14000 -2.25300 0.11700 1.000 H25 H 5.38100 -2.12000 -0.12300 1.000 H26 H 6.49700 -1.51200 -1.36900 1.000 H27 H 7.71000 1.39100 0.62100 1.000 H28 H 8.50000 -0.20200 0.55100 1.000 H29 H 7.85700 0.53900 -0.93400 1.000 H30 H -5.05000 0.58700 -1.47600 1.000 H31 H -3.93200 -0.35100 1.20300 1.000 H32 H -3.89000 -1.30500 -0.29900 1.000 H33 H -1.39200 -1.31800 -0.22100 1.000 H34 H -1.43400 -0.36400 1.28100 1.000 H35 H -0.25600 1.21500 -0.74200 1.000 H36 H -2.59600 0.49700 -1.40700 1.000 H37 H -2.63800 1.45100 0.09500 1.000 H38 H 2.00800 -1.52700 1.06100 1.000 H39 H -7.52800 -1.85000 -0.60500 1.000