# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9NB' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy S0 S 4.84700 0.64400 0.33900 1.000 C1 C 3.75900 -0.71600 -0.16800 1.000 C2 C 2.32300 -0.25900 -0.11000 1.000 O3 O 2.06100 0.87200 0.24000 1.000 N4 N 1.33200 -1.10800 -0.44500 1.000 C5 C 0.00200 -0.71800 -0.30000 1.000 C6 C -0.36300 0.60400 -0.53800 1.000 C7 C -1.67100 0.99100 -0.40100 1.000 C8 C -2.64100 0.05400 -0.02300 1.000 C9 C -4.04300 0.46300 0.12400 1.000 O10 O -4.36300 1.61500 -0.08300 1.000 C11 C -5.08400 -0.54700 0.53100 1.000 C12 C -2.26800 -1.27500 0.21400 1.000 C13 C -0.95800 -1.65300 0.07600 1.000 H14 H 6.07400 0.10200 0.24000 1.000 H15 H 4.00300 -1.01600 -1.18700 1.000 H16 H 3.89800 -1.56200 0.50400 1.000 H17 H 1.54400 -1.99000 -0.78800 1.000 H18 H 0.38500 1.32600 -0.83000 1.000 H19 H -1.95300 2.01700 -0.58500 1.000 H20 H -6.05900 -0.06200 0.58800 1.000 H21 H -5.12000 -1.34900 -0.20600 1.000 H22 H -4.82700 -0.96100 1.50600 1.000 H23 H -3.01300 -2.00100 0.50700 1.000 H24 H -0.67100 -2.67900 0.25500 1.000