# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'J0W' 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 -1.11700 5.15800 0.23500 1.000 C1 C -1.67100 3.85500 -0.34500 1.000 C2 C -0.99200 3.56300 -1.68400 1.000 C3 C -1.39400 2.70600 0.62800 1.000 N4 N -2.02900 1.47900 0.13000 1.000 C5 C -3.48500 1.51700 0.33600 1.000 C6 C -4.12500 0.41700 -0.51100 1.000 C7 C -3.42400 -0.89500 -0.26500 1.000 C8 C -4.05800 -2.06500 -0.65200 1.000 C9 C -3.44800 -3.29200 -0.44800 1.000 C10 C -2.19500 -3.34600 0.14600 1.000 C11 C -1.56700 -2.18000 0.53100 1.000 C12 C -2.18000 -0.95100 0.32700 1.000 C13 C -1.45600 0.29200 0.77400 1.000 C14 C -1.57900 0.43200 2.29200 1.000 C15 C 0.00100 0.18000 0.40400 1.000 C16 C 0.43100 0.61000 -0.83900 1.000 C17 C 1.76200 0.51000 -1.18400 1.000 C18 C 2.67800 -0.02800 -0.27400 1.000 C19 C 2.23600 -0.46000 0.98000 1.000 C20 C 0.90200 -0.34800 1.31200 1.000 C21 C 4.10100 -0.13900 -0.63500 1.000 C22 C 4.98200 -0.65800 0.24500 1.000 C23 C 6.39500 -0.76800 -0.11300 1.000 O24 O 6.77700 -0.39100 -1.20500 1.000 O25 O 7.27600 -1.28700 0.76700 1.000 O26 O -4.07300 -4.43700 -0.82800 1.000 H27 H -1.31400 5.97600 -0.45800 1.000 H28 H -1.60100 5.36600 1.18900 1.000 H29 H -0.04200 5.06100 0.38500 1.000 H30 H -2.74600 3.95200 -0.49500 1.000 H31 H 0.08300 3.46600 -1.53400 1.000 H32 H -1.38700 2.63400 -2.09700 1.000 H33 H -1.18900 4.38100 -2.37700 1.000 H34 H -0.31800 2.55100 0.71000 1.000 H35 H -1.80100 2.95400 1.60800 1.000 H36 H -3.71000 1.34600 1.38900 1.000 H37 H -3.87300 2.48800 0.02900 1.000 H38 H -5.17700 0.32000 -0.24400 1.000 H39 H -4.04300 0.67900 -1.56600 1.000 H40 H -5.03300 -2.02000 -1.11500 1.000 H41 H -1.71300 -4.29900 0.30700 1.000 H42 H -3.87400 -4.71100 -1.73400 1.000 H43 H -0.59200 -2.22300 0.99300 1.000 H44 H -2.63100 0.52300 2.56500 1.000 H45 H -1.15400 -0.44900 2.77400 1.000 H46 H -1.04000 1.32100 2.62000 1.000 H47 H -0.27700 1.02500 -1.54000 1.000 H48 H 0.55900 -0.67800 2.28200 1.000 H49 H 2.09700 0.84600 -2.15500 1.000 H50 H 2.93700 -0.87700 1.68800 1.000 H51 H 4.44000 0.19600 -1.60500 1.000 H52 H 4.64300 -0.99200 1.21500 1.000 H53 H 8.18600 -1.31900 0.44100 1.000