# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JV0' 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 -2.11200 2.41100 1.16200 1.000 C1 C -1.49600 1.03700 1.08600 1.000 N2 N -0.19700 0.76100 0.76500 1.000 C3 C 0.78800 1.70700 0.45300 1.000 C4 C 1.85900 1.90700 1.31300 1.000 C5 C 2.82800 2.84100 1.00300 1.000 C6 C 2.73300 3.57600 -0.16500 1.000 C7 C 3.79200 4.59400 -0.50100 1.000 C8 C 4.90200 3.92500 -1.31400 1.000 C9 C 1.66700 3.37900 -1.02400 1.000 C10 C 0.69800 2.44300 -0.72100 1.000 C11 C -2.13400 -0.12800 1.32800 1.000 C12 C -3.58100 -0.28400 1.72000 1.000 N13 N -4.42700 -0.17900 0.52300 1.000 C14 C -5.81000 -0.55800 0.82300 1.000 C15 C -6.74200 -0.03300 -0.27400 1.000 S16 S -6.27300 -0.80800 -1.85100 1.000 C17 C -4.48400 -0.48500 -1.91000 1.000 C18 C -3.86200 -0.94700 -0.58800 1.000 C19 C -1.20800 -1.16900 1.14800 1.000 C20 C -0.01900 -0.60100 0.80200 1.000 C21 C 1.24100 -1.32100 0.51900 1.000 C22 C 1.41800 -2.62700 0.98000 1.000 C23 C 2.59300 -3.29600 0.71500 1.000 C24 C 2.25300 -0.69900 -0.21500 1.000 C25 C 3.42500 -1.37300 -0.47800 1.000 C26 C 3.60200 -2.67200 -0.01100 1.000 S27 S 5.10400 -3.53000 -0.34700 1.000 C28 C 6.06300 -2.31800 -1.29600 1.000 H29 H -2.51700 2.68200 0.18800 1.000 H30 H -2.91200 2.40900 1.90200 1.000 H31 H -1.35000 3.13400 1.45300 1.000 H32 H 1.93400 1.33300 2.22500 1.000 H33 H -0.13200 2.28600 -1.39500 1.000 H34 H 3.66100 2.99700 1.67200 1.000 H35 H 3.34800 5.40000 -1.08500 1.000 H36 H 4.21100 5.00000 0.42000 1.000 H37 H 1.59600 3.95400 -1.93500 1.000 H38 H 5.34500 3.11900 -0.73000 1.000 H39 H 4.48300 3.51900 -2.23500 1.000 H40 H 5.66800 4.66100 -1.55800 1.000 H41 H -3.72800 -1.25900 2.18400 1.000 H42 H -3.85200 0.50000 2.42700 1.000 H43 H -1.40100 -2.22500 1.26600 1.000 H44 H -5.88500 -1.64400 0.87300 1.000 H45 H -6.10200 -0.13100 1.78200 1.000 H46 H -2.78300 -0.79500 -0.62300 1.000 H47 H -4.07200 -2.00700 -0.44000 1.000 H48 H -7.77300 -0.29100 -0.03200 1.000 H49 H -6.64200 1.04900 -0.35300 1.000 H50 H -4.03900 -1.03800 -2.73700 1.000 H51 H -4.30900 0.58300 -2.04300 1.000 H52 H 0.63600 -3.11200 1.54500 1.000 H53 H 2.11600 0.30900 -0.57800 1.000 H54 H 2.73100 -4.30600 1.07200 1.000 H55 H 4.20800 -0.89300 -1.04600 1.000 H56 H 5.51900 -2.05400 -2.20300 1.000 H57 H 6.21800 -1.42400 -0.69200 1.000 H58 H 7.02900 -2.74700 -1.56400 1.000