# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JN8' 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 1.80100 -0.50400 -0.16900 1.000 C1 C 0.46200 -0.96100 0.16000 1.000 C2 C -0.49800 -0.00200 -0.01300 1.000 S3 S 0.19600 1.44900 -0.57100 1.000 C4 C 1.81400 0.77000 -0.57900 1.000 C5 C 3.06900 1.51500 -0.99800 1.000 N6 N 4.22600 0.69000 -0.61900 1.000 C7 C 4.16500 -0.75300 -0.89700 1.000 C8 C 3.04500 -1.37000 -0.05500 1.000 N9 N -1.84900 -0.18600 0.23200 1.000 C10 C -2.71500 0.82700 0.02900 1.000 C11 C -4.18500 0.62700 0.29600 1.000 C12 C -4.92900 1.90200 -0.00800 1.000 C13 C -5.45000 2.22400 -1.19200 1.000 C14 C -6.09100 3.45100 -1.23300 1.000 C15 C -6.08900 4.12400 -0.08200 1.000 S16 S -5.24800 3.18900 1.14800 1.000 O17 O -2.31200 1.89900 -0.36800 1.000 C18 C 0.16800 -2.31600 0.63100 1.000 O19 O -0.11900 -3.29100 -0.25500 1.000 C20 C 5.31000 1.24000 -0.03500 1.000 C21 C -0.40000 -4.61000 0.28300 1.000 C22 C 0.02200 -5.70400 -0.72100 1.000 N23 N 5.38900 2.57700 0.11500 1.000 C24 C -1.04000 -6.81400 -0.63200 1.000 O25 O 6.21500 0.52900 0.35700 1.000 C26 C -2.07000 -6.35600 0.42100 1.000 C27 C -1.92600 -4.81400 0.44800 1.000 O28 O 0.18300 -2.56300 1.82200 1.000 C29 C 6.44100 4.70200 0.71600 1.000 C30 C 6.61100 3.18300 0.64900 1.000 H31 H 3.06400 1.67000 -2.07700 1.000 H32 H 3.11500 2.47700 -0.48700 1.000 H33 H 3.95700 -0.91300 -1.95500 1.000 H34 H 5.11600 -1.21600 -0.63500 1.000 H35 H 3.35900 -1.42100 0.98800 1.000 H36 H 2.82500 -2.37300 -0.42000 1.000 H37 H -2.17200 -1.04400 0.55000 1.000 H38 H -4.56300 -0.17500 -0.33900 1.000 H39 H -4.33200 0.36100 1.34300 1.000 H40 H -5.37800 1.57800 -2.05400 1.000 H41 H -6.55600 3.83400 -2.12900 1.000 H42 H -6.53900 5.09400 0.07300 1.000 H43 H 0.11100 -4.74900 1.23500 1.000 H44 H 0.05000 -5.29300 -1.73000 1.000 H45 H 1.00100 -6.10000 -0.45100 1.000 H46 H 4.63700 3.13800 -0.13200 1.000 H47 H -1.52700 -6.94200 -1.59900 1.000 H48 H -0.57600 -7.75000 -0.32100 1.000 H49 H -3.07800 -6.64100 0.11900 1.000 H50 H -1.83000 -6.77900 1.39700 1.000 H51 H -2.26900 -4.41100 1.40100 1.000 H52 H -2.46900 -4.36200 -0.38200 1.000 H53 H 7.35000 5.15200 1.11400 1.000 H54 H 6.25000 5.09000 -0.28400 1.000 H55 H 5.60000 4.94400 1.36600 1.000 H56 H 6.80200 2.79400 1.65000 1.000 H57 H 7.45200 2.94000 -0.00100 1.000