# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9HN' 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 -0.74300 4.58400 -2.18500 1.000 C1 C -0.88500 4.15200 -0.72400 1.000 C2 C 0.45000 4.34500 -0.00200 1.000 C3 C -1.96000 5.00200 -0.04300 1.000 O4 O -1.26800 2.75300 -0.66900 1.000 C5 C -1.50400 2.23300 0.54600 1.000 O6 O -1.31000 2.89800 1.53600 1.000 C7 C -2.01000 0.82000 0.67600 1.000 C8 C -3.52800 0.83700 0.86500 1.000 C9 C -4.18300 1.38300 -0.37800 1.000 C10 C -5.10600 0.68500 -0.99200 1.000 C11 C -1.35400 0.15100 1.88500 1.000 N12 N 0.10500 0.17100 1.73300 1.000 C13 C -1.78700 -1.29000 1.97100 1.000 N14 N -2.43000 -1.86800 2.94400 1.000 N15 N -2.58600 -3.11800 2.67800 1.000 C16 C -2.06000 -3.39400 1.51300 1.000 C17 C -2.01600 -4.74500 0.84500 1.000 N18 N -1.56000 -2.23100 1.02000 1.000 C19 C -0.96500 -2.01400 -0.22500 1.000 C20 C -1.44100 -2.73200 -1.31700 1.000 C21 C -0.91100 -2.53000 -2.57400 1.000 C22 C 0.10500 -1.60200 -2.75600 1.000 O23 O 0.61700 -1.39100 -3.99800 1.000 C24 C -0.00600 -2.08200 -5.08200 1.000 C25 C 0.59600 -0.89100 -1.67900 1.000 C26 C 0.07800 -1.10000 -0.39300 1.000 C27 C 0.69200 -0.37400 0.72400 1.000 C28 C 2.16800 -0.25200 0.68700 1.000 C29 C 2.79900 0.80600 1.34100 1.000 C30 C 4.17400 0.91400 1.30300 1.000 C31 C 4.92600 -0.02500 0.61700 1.000 Cl32 Cl 6.65600 0.11800 0.57300 1.000 C33 C 4.30400 -1.07700 -0.03300 1.000 C34 C 2.93100 -1.19800 0.00300 1.000 H35 H 0.02300 3.97900 -2.67000 1.000 H36 H -1.69400 4.44700 -2.69900 1.000 H37 H -0.45600 5.63500 -2.22600 1.000 H38 H 0.78800 5.37300 -0.13200 1.000 H39 H 0.32300 4.13500 1.06000 1.000 H40 H 1.19100 3.66400 -0.42100 1.000 H41 H -1.73600 6.05800 -0.19100 1.000 H42 H -2.93400 4.77300 -0.47700 1.000 H43 H -1.97700 4.78000 1.02400 1.000 H44 H -1.76300 0.26100 -0.22700 1.000 H45 H -3.88400 -0.17700 1.04800 1.000 H46 H -3.78100 1.46900 1.71600 1.000 H47 H -3.89100 2.34900 -0.76200 1.000 H48 H -5.57500 1.07700 -1.88300 1.000 H49 H -5.39800 -0.28100 -0.60800 1.000 H50 H -1.63800 0.67700 2.79700 1.000 H51 H -2.90700 -4.87500 0.23000 1.000 H52 H -1.12800 -4.81000 0.21600 1.000 H53 H -1.98200 -5.52500 1.60500 1.000 H54 H -2.23300 -3.45400 -1.17900 1.000 H55 H -1.28500 -3.09400 -3.41500 1.000 H56 H 0.09000 -3.15800 -4.93000 1.000 H57 H -1.06100 -1.81400 -5.12600 1.000 H58 H 0.47900 -1.80300 -6.01800 1.000 H59 H 1.38600 -0.17000 -1.82800 1.000 H60 H 2.21400 1.53800 1.87600 1.000 H61 H 4.66400 1.73200 1.80900 1.000 H62 H 4.89600 -1.80600 -0.56700 1.000 H63 H 2.44700 -2.01900 -0.50500 1.000