# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9JP' 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 0.80200 -2.24300 3.28200 1.000 N1 N 3.89500 0.38600 -1.61400 1.000 C2 C 2.28700 -3.25200 1.17100 1.000 C3 C 5.37100 2.45800 -0.66000 1.000 C4 C 6.01100 1.34800 -1.26200 1.000 C5 C 5.25800 0.32700 -1.72500 1.000 C6 C -0.55000 0.08700 1.53000 1.000 C7 C -1.06000 1.36600 1.51200 1.000 C8 C -2.28000 1.62200 0.86300 1.000 C9 C -2.97400 0.55900 0.23200 1.000 C10 C -2.42800 -0.74200 0.26600 1.000 C11 C -1.23100 -0.96300 0.91000 1.000 C12 C -2.82200 2.91700 0.83100 1.000 C13 C 1.83000 -1.94500 1.12900 1.000 C14 C -4.02600 3.13500 0.18200 1.000 C15 C -4.70500 2.07100 -0.44000 1.000 C16 C -4.19400 0.81300 -0.41700 1.000 C17 C -4.58500 4.45300 0.14500 1.000 C18 C -0.31200 2.48700 2.18700 1.000 C19 C -2.85000 -2.09600 -1.64100 1.000 C20 C -3.57400 -3.23800 -2.30600 1.000 C21 C -4.07400 -2.58900 0.40700 1.000 C22 C 1.08400 -1.43800 2.19000 1.000 C23 C 1.26600 -3.54500 3.31900 1.000 C24 C 2.00700 -4.04800 2.26600 1.000 C25 C 2.87100 -1.74900 -1.00000 1.000 C26 C 3.07800 -0.72200 -2.11500 1.000 C27 C 3.29900 1.44900 -1.04300 1.000 F28 F -3.15100 -3.34900 -3.63400 1.000 N29 N 4.02600 2.47800 -0.57000 1.000 N30 N -3.09900 -1.80000 -0.35000 1.000 N31 N -5.02900 5.49800 0.11600 1.000 O32 O 0.63200 -0.15600 2.15400 1.000 O33 O 2.10500 -1.16000 0.05300 1.000 O34 O 2.08700 1.48000 -0.95500 1.000 O35 O 6.02900 3.39100 -0.23500 1.000 O36 O -2.04300 -1.44300 -2.26800 1.000 H37 H 0.22400 -1.85200 4.10600 1.000 H38 H 2.86600 -3.64800 0.34900 1.000 H39 H 7.08700 1.31800 -1.35000 1.000 H40 H 5.72800 -0.53200 -2.18000 1.000 H41 H -0.81400 -1.95900 0.93500 1.000 H42 H -2.30400 3.73600 1.30700 1.000 H43 H -5.64300 2.25700 -0.94100 1.000 H44 H -4.72700 0.00600 -0.89900 1.000 H45 H 0.37400 2.94600 1.47500 1.000 H46 H -1.02100 3.23400 2.54200 1.000 H47 H 0.25200 2.09100 3.03100 1.000 H48 H -3.35500 -4.16500 -1.77600 1.000 H49 H -4.64800 -3.05100 -2.28100 1.000 H50 H -5.06300 -2.14100 0.30300 1.000 H51 H -4.09500 -3.60800 0.02200 1.000 H52 H -3.79100 -2.60300 1.46000 1.000 H53 H 1.04900 -4.17000 4.17300 1.000 H54 H 2.36400 -5.06700 2.29700 1.000 H55 H 2.33900 -2.61400 -1.39600 1.000 H56 H 3.83900 -2.06400 -0.61200 1.000 H57 H 2.11000 -0.34100 -2.44200 1.000 H58 H 3.58500 -1.19600 -2.95600 1.000 H59 H 3.58000 3.23600 -0.16100 1.000