# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9JO' 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 -0.78500 0.48200 -0.25700 1.000 C1 C -0.23500 1.74700 -0.47600 1.000 C2 C 1.12700 1.88500 -0.58300 1.000 N3 N 1.88700 0.80100 -0.47400 1.000 N4 N 0.03400 -0.55700 -0.15600 1.000 C5 C 1.34500 -0.38900 -0.26500 1.000 C6 C -8.60800 -6.00300 -0.31200 1.000 C7 C 6.63900 -3.13700 -1.39500 1.000 C8 C 11.60100 0.63800 0.58800 1.000 C9 C -5.42000 5.70300 -0.72500 1.000 C10 C -5.03000 5.02200 -1.86400 1.000 C11 C -4.88100 5.36800 0.50300 1.000 C12 C -4.10000 4.00400 -1.77800 1.000 C13 C 4.12600 -0.21600 0.46900 1.000 C14 C 5.49700 -0.05200 0.48000 1.000 C15 C 4.38100 -2.27400 -0.75000 1.000 C16 C -7.26900 -5.86400 0.41400 1.000 C17 C -4.21100 -2.77700 -0.82800 1.000 C18 C -4.04300 -2.42000 1.63900 1.000 C19 C -3.64300 -1.37800 -1.07000 1.000 C20 C -3.47400 -1.02000 1.39700 1.000 C21 C 9.75900 -0.80300 1.21600 1.000 C22 C 9.61400 0.54000 -0.79200 1.000 C23 C 8.23300 -0.90900 1.25600 1.000 C24 C 8.08700 0.43400 -0.75300 1.000 C25 C -1.17500 2.92300 -0.58900 1.000 C26 C -6.70900 -4.48500 0.17700 1.000 C27 C -3.00900 1.36500 -0.24500 1.000 C28 C 5.75200 -2.11000 -0.73900 1.000 C29 C -3.95000 4.35100 0.59700 1.000 C30 C 3.56400 -1.32700 -0.14600 1.000 C31 C 6.31400 -0.99900 -0.12400 1.000 C32 C -3.55600 3.66500 -0.54600 1.000 C33 C -4.98400 -2.79300 0.49200 1.000 C34 C -2.70100 -1.00500 0.07700 1.000 N35 N 2.17300 -1.49300 -0.15600 1.000 N36 N -5.52800 -4.13400 0.72300 1.000 N37 N 10.14300 0.46300 0.57700 1.000 N38 N 7.70400 -0.83200 -0.11300 1.000 N39 N -2.61400 2.63400 -0.45500 1.000 N40 N -2.15700 0.33600 -0.15400 1.000 O41 O -7.32100 -3.69100 -0.50700 1.000 O42 O -4.20000 1.14000 -0.14200 1.000 Cl43 Cl -3.27300 3.93100 2.13900 1.000 H44 H 1.57100 2.85500 -0.75400 1.000 H45 H -9.30700 -5.25600 0.06800 1.000 H46 H -8.46000 -5.85000 -1.38100 1.000 H47 H -9.01400 -7.00000 -0.14000 1.000 H48 H 6.87500 -2.81800 -2.41000 1.000 H49 H 7.56100 -3.23900 -0.82300 1.000 H50 H 6.12200 -4.09600 -1.42600 1.000 H51 H 12.07000 -0.18400 0.04600 1.000 H52 H 11.85800 1.58300 0.10900 1.000 H53 H 11.95900 0.64400 1.61800 1.000 H54 H -6.14400 6.50100 -0.79600 1.000 H55 H -5.45300 5.28600 -2.82200 1.000 H56 H -5.18800 5.90200 1.39100 1.000 H57 H -3.79600 3.47300 -2.66700 1.000 H58 H 3.49000 0.51800 0.94200 1.000 H59 H 5.93400 0.81200 0.95800 1.000 H60 H 3.94500 -3.13800 -1.22800 1.000 H61 H -7.41800 -6.01600 1.48300 1.000 H62 H -6.57100 -6.61000 0.03500 1.000 H63 H -4.88200 -3.04300 -1.64500 1.000 H64 H -3.39500 -3.49800 -0.78000 1.000 H65 H -3.22600 -3.14100 1.68700 1.000 H66 H -4.59300 -2.43200 2.57900 1.000 H67 H -3.09200 -1.36600 -2.01000 1.000 H68 H -4.45900 -0.65700 -1.11800 1.000 H69 H -4.29100 -0.30000 1.34900 1.000 H70 H -2.80300 -0.75500 2.21400 1.000 H71 H 10.15200 -0.83100 2.23300 1.000 H72 H 10.16800 -1.63700 0.64600 1.000 H73 H 10.02000 -0.27800 -1.38600 1.000 H74 H 9.90100 1.49200 -1.24000 1.000 H75 H 7.94600 -1.86100 1.70300 1.000 H76 H 7.82600 -0.09000 1.84900 1.000 H77 H 7.67900 1.26800 -0.18200 1.000 H78 H 7.69500 0.46200 -1.76900 1.000 H79 H -0.90300 3.64600 0.18000 1.000 H80 H -1.01400 3.39100 -1.56000 1.000 H81 H -5.80100 -2.07300 0.44400 1.000 H82 H -1.88500 -1.72500 0.12600 1.000 H83 H 1.79100 -2.38200 -0.08800 1.000 H84 H -5.03900 -4.76800 1.26900 1.000