# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9N3' 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 1.92600 2.75400 -0.10100 1.000 C1 C 1.33500 0.11600 0.51400 1.000 C2 C 2.64900 0.53000 0.43400 1.000 C3 C 2.94500 1.84700 0.12700 1.000 C4 C 0.30500 1.02600 0.28000 1.000 C5 C -1.41400 -0.73600 0.68000 1.000 C6 C -1.11000 0.58700 0.36500 1.000 C7 C 0.60900 2.35100 -0.02300 1.000 C8 C -3.45400 1.08500 0.22400 1.000 C9 C -2.73100 -1.13900 0.75800 1.000 O10 O -6.13900 0.43300 0.98800 1.000 S11 S -5.43000 -0.74900 0.64500 1.000 O12 O -5.39300 -1.86300 1.52800 1.000 C13 C -5.85500 -1.28300 -1.03600 1.000 C14 C -7.30800 -1.76100 -1.06600 1.000 O15 O -7.64300 -2.18100 -2.39100 1.000 C16 C -3.75000 -0.23100 0.53000 1.000 C17 C -2.13900 1.49600 0.13100 1.000 C18 C 2.25600 4.18800 -0.42900 1.000 C19 C 3.08600 4.23900 -1.71400 1.000 C20 C 0.96100 4.97700 -0.62700 1.000 C21 C 3.05800 4.80200 0.72000 1.000 C22 C 3.76300 -0.45100 0.68700 1.000 C23 C 4.16100 -1.12200 -0.62900 1.000 C24 C 5.27600 -2.10500 -0.37500 1.000 C25 C 5.12900 -3.42100 -0.76800 1.000 C26 C 6.16100 -4.31700 -0.53100 1.000 N27 N 6.38300 -1.69600 0.21400 1.000 C28 C 7.38400 -2.52000 0.45600 1.000 C29 C 7.30700 -3.85100 0.09600 1.000 H30 H 1.10500 -0.91000 0.75800 1.000 H31 H 3.97400 2.16600 0.06400 1.000 H32 H -0.61900 -1.44600 0.85800 1.000 H33 H -0.18600 3.06200 -0.19700 1.000 H34 H -4.25300 1.79200 0.05500 1.000 H35 H -2.96800 -2.16500 0.99800 1.000 H36 H -5.73300 -0.44600 -1.72400 1.000 H37 H -5.19700 -2.09800 -1.33500 1.000 H38 H -7.43000 -2.59800 -0.37800 1.000 H39 H -7.96600 -0.94600 -0.76700 1.000 H40 H -8.55200 -2.49800 -2.48400 1.000 H41 H -1.91000 2.52300 -0.10800 1.000 H42 H 2.51500 3.80100 -2.53200 1.000 H43 H 3.32500 5.27600 -1.95100 1.000 H44 H 4.00900 3.67700 -1.57300 1.000 H45 H 0.37000 4.94000 0.28900 1.000 H46 H 1.19900 6.01400 -0.86400 1.000 H47 H 0.39000 4.53900 -1.44600 1.000 H48 H 3.98100 4.24000 0.86100 1.000 H49 H 3.29600 5.83900 0.48300 1.000 H50 H 2.46700 4.76600 1.63600 1.000 H51 H 4.62400 0.07400 1.10200 1.000 H52 H 3.42600 -1.21000 1.39400 1.000 H53 H 3.30100 -1.64800 -1.04300 1.000 H54 H 4.49900 -0.36400 -1.33600 1.000 H55 H 4.22200 -3.74900 -1.25400 1.000 H56 H 6.07400 -5.35200 -0.82600 1.000 H57 H 8.27500 -2.14800 0.94100 1.000 H58 H 8.13000 -4.52100 0.29800 1.000