# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JS1' 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 -0.78900 4.36000 -1.09600 1.000 C1 C -0.73000 3.44200 0.12700 1.000 O2 O -0.56500 2.06700 -0.30700 1.000 C3 C -0.49500 1.12500 0.65600 1.000 O4 O -0.57000 1.44600 1.82700 1.000 C5 C -0.32900 -0.28500 0.29200 1.000 C6 C -1.32600 -1.19300 -0.02700 1.000 O7 O -0.77100 -2.38300 -0.30400 1.000 C8 C 0.57400 -2.33900 -0.18900 1.000 C9 C 0.93700 -1.03600 0.18100 1.000 C10 C 2.27600 -0.70400 0.36400 1.000 C11 C 3.25000 -1.66800 0.17600 1.000 C12 C 2.89100 -2.95900 -0.19400 1.000 C13 C 1.56600 -3.29600 -0.36900 1.000 O14 O 4.56100 -1.35200 0.35300 1.000 C15 C 2.66200 0.69700 0.76500 1.000 N16 N 2.75800 1.54000 -0.43400 1.000 C17 C 2.86900 2.95900 -0.07200 1.000 C18 C 3.88400 1.12400 -1.28200 1.000 C19 C -2.77100 -0.89700 -0.05900 1.000 C20 C -3.68500 -1.89800 -0.39700 1.000 C21 C -5.03500 -1.61500 -0.42400 1.000 C22 C -5.48400 -0.34200 -0.11900 1.000 C23 C -4.58400 0.65500 0.21700 1.000 C24 C -3.23200 0.38400 0.25500 1.000 H25 H 0.13700 4.26700 -1.66400 1.000 H26 H -1.63100 4.07400 -1.72500 1.000 H27 H -0.91300 5.39200 -0.77000 1.000 H28 H 0.11300 3.72900 0.75700 1.000 H29 H -1.65600 3.53500 0.69600 1.000 H30 H 3.65700 -3.70700 -0.34000 1.000 H31 H 1.29800 -4.30200 -0.65800 1.000 H32 H 4.88000 -1.48700 1.25500 1.000 H33 H 1.90600 1.10400 1.43600 1.000 H34 H 3.62600 0.67600 1.27300 1.000 H35 H 3.76200 3.11100 0.53500 1.000 H36 H 2.93900 3.56100 -0.97800 1.000 H37 H 1.98800 3.25900 0.49700 1.000 H38 H 3.69200 0.12500 -1.67500 1.000 H39 H 3.99400 1.82500 -2.10900 1.000 H40 H 4.79900 1.11200 -0.69000 1.000 H41 H -3.33600 -2.89200 -0.63600 1.000 H42 H -5.74200 -2.38800 -0.68500 1.000 H43 H -6.54100 -0.12400 -0.14700 1.000 H44 H -4.94200 1.64600 0.45400 1.000 H45 H -2.53200 1.16300 0.51600 1.000