# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'J3M' 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 0.39800 0.99700 0.16100 1.000 C1 C -2.04300 -0.32300 1.30700 1.000 C2 C -3.74500 -1.90000 0.68000 1.000 C3 C -5.56700 -3.19800 -0.15400 1.000 C4 C -2.88400 -2.47000 -0.24500 1.000 C5 C -1.60200 -1.97600 -0.39000 1.000 C6 C 3.56500 -1.82600 -0.06600 1.000 C7 C 5.75200 -2.57300 0.58600 1.000 C8 C 4.43600 -3.89200 -0.92700 1.000 C9 C -2.97100 3.61600 -0.40100 1.000 C10 C -1.99300 3.10800 -1.46100 1.000 C11 C -2.53000 1.81200 -2.07300 1.000 C12 C -1.83500 4.16300 -2.55800 1.000 O13 O -0.72300 2.85700 -0.85600 1.000 C14 C -0.77200 1.94400 0.24200 1.000 C15 C -0.70900 2.71100 1.53700 1.000 O16 O -0.78900 2.06000 2.70800 1.000 O17 O -0.58600 3.91300 1.52200 1.000 C18 C 0.20400 -0.37200 0.22700 1.000 C19 C -1.17300 -0.90000 0.38400 1.000 C20 C -3.31800 -0.82300 1.45300 1.000 O21 O -5.00700 -2.36800 0.86400 1.000 C22 C -4.55500 -4.29000 -0.50200 1.000 C23 C -3.31500 -3.62900 -1.10800 1.000 N24 N 1.22300 -1.22600 0.15200 1.000 C25 C 2.47400 -0.82800 0.01200 1.000 C26 C 4.73900 -1.63800 0.66200 1.000 C27 C 5.60300 -3.69400 -0.21100 1.000 C28 C 3.41900 -2.96200 -0.86300 1.000 C29 C 2.77200 0.55300 -0.06400 1.000 C30 C 4.08400 1.01900 -0.21300 1.000 C31 C 4.31900 2.36100 -0.28100 1.000 C32 C 3.27300 3.27800 -0.20500 1.000 C33 C 1.98400 2.86100 -0.06000 1.000 C34 C 1.70700 1.48700 0.01200 1.000 H35 H -1.71800 0.51200 1.90900 1.000 H36 H -6.48900 -3.65200 0.20900 1.000 H37 H -5.77700 -2.60000 -1.04100 1.000 H38 H -0.93100 -2.42300 -1.10900 1.000 H39 H 6.66200 -2.42800 1.14900 1.000 H40 H 4.32700 -4.76900 -1.54700 1.000 H41 H -3.94000 3.80700 -0.86300 1.000 H42 H -3.08300 2.86500 0.38000 1.000 H43 H -2.58800 4.53900 0.03400 1.000 H44 H -3.49900 2.00300 -2.53400 1.000 H45 H -1.83300 1.45000 -2.82800 1.000 H46 H -2.64200 1.06100 -1.29100 1.000 H47 H -1.37200 5.05600 -2.13900 1.000 H48 H -1.20700 3.76700 -3.35600 1.000 H49 H -2.81600 4.41700 -2.96100 1.000 H50 H -1.70200 1.37600 0.20100 1.000 H51 H -0.74300 2.59500 3.51200 1.000 H52 H -3.99100 -0.37900 2.17100 1.000 H53 H -4.27900 -4.82800 0.40500 1.000 H54 H -4.99100 -4.98300 -1.22200 1.000 H55 H -3.55000 -3.26400 -2.10800 1.000 H56 H -2.50800 -4.36000 -1.17000 1.000 H57 H 4.85600 -0.76300 1.28400 1.000 H58 H 6.40200 -4.41800 -0.27400 1.000 H59 H 2.51100 -3.11300 -1.42900 1.000 H60 H 4.90500 0.32000 -0.27200 1.000 H61 H 5.33100 2.71800 -0.39500 1.000 H62 H 3.48700 4.33500 -0.26100 1.000 H63 H 1.18200 3.58200 -0.00100 1.000