# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'J1Q' 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 -0.41900 5.10600 -0.69000 1.000 C1 C 0.24300 3.96900 0.09100 1.000 C2 C 1.07000 3.10700 -0.86500 1.000 C3 C 1.63700 1.90600 -0.10600 1.000 N4 N 2.52800 1.14800 -0.98800 1.000 C5 C 3.95600 1.47000 -1.04000 1.000 C6 C 4.70500 0.64000 0.00500 1.000 C7 C 6.19600 0.97700 -0.04900 1.000 C8 C 6.94400 0.14700 0.99600 1.000 C9 C 2.03300 0.15400 -1.75300 1.000 O10 O 2.78500 -0.53400 -2.41700 1.000 C11 C 0.57900 -0.10100 -1.78300 1.000 N12 N -0.34900 0.58200 -1.14200 1.000 C13 C -0.08100 -1.12000 -2.51000 1.000 C14 C -1.39800 -0.96700 -2.23600 1.000 C15 C -2.52700 -1.81100 -2.76900 1.000 N16 N -1.51000 0.09500 -1.39500 1.000 C17 C -2.71300 0.58200 -0.87700 1.000 C18 C -3.80000 0.78600 -1.71400 1.000 C19 C -4.98800 1.26800 -1.19900 1.000 C20 C -5.10400 1.54900 0.15100 1.000 C21 C -4.03300 1.35000 0.99800 1.000 C22 C -2.82800 0.86000 0.49300 1.000 C23 C -1.67800 0.64500 1.39300 1.000 O24 O -1.07400 1.59800 1.84600 1.000 N25 N -1.29800 -0.60800 1.71400 1.000 C26 C -1.91400 -1.77800 1.07800 1.000 C27 C -0.84400 -2.76800 0.69300 1.000 C28 C -1.20600 -3.82200 -0.13500 1.000 C29 C -0.27300 -4.76600 -0.51400 1.000 C30 C 1.03000 -4.66200 -0.06500 1.000 C31 C 1.39100 -3.61200 0.75400 1.000 C32 C 0.45600 -2.65700 1.13300 1.000 C33 C 0.92900 -1.52500 2.00600 1.000 C34 C -0.24400 -0.85700 2.71100 1.000 C35 C 0.21200 0.46900 3.32300 1.000 N36 N -0.92100 1.11000 4.00400 1.000 H37 H 0.34900 5.76900 -1.08700 1.000 H38 H -1.00100 4.69000 -1.51300 1.000 H39 H -1.07800 5.66700 -0.02700 1.000 H40 H 0.89400 4.38700 0.85900 1.000 H41 H -0.52600 3.35600 0.56200 1.000 H42 H 0.43500 2.75600 -1.67800 1.000 H43 H 1.88900 3.70000 -1.27200 1.000 H44 H 2.19700 2.25500 0.76200 1.000 H45 H 0.82000 1.26400 0.22300 1.000 H46 H 4.34500 1.24100 -2.03200 1.000 H47 H 4.09700 2.53100 -0.83100 1.000 H48 H 4.31600 0.87000 0.99700 1.000 H49 H 4.56400 -0.42000 -0.20400 1.000 H50 H 6.58500 0.74800 -1.04100 1.000 H51 H 6.33700 2.03800 0.16000 1.000 H52 H 6.80400 -0.91300 0.78700 1.000 H53 H 8.00700 0.38700 0.95700 1.000 H54 H 6.55600 0.37700 1.98800 1.000 H55 H 0.37100 -1.86300 -3.15000 1.000 H56 H -2.77000 -2.59000 -2.04700 1.000 H57 H -3.40200 -1.18300 -2.93500 1.000 H58 H -2.22500 -2.26900 -3.71100 1.000 H59 H -3.71700 0.57000 -2.76900 1.000 H60 H -5.83200 1.42600 -1.85500 1.000 H61 H -6.03700 1.92500 0.54400 1.000 H62 H -4.12800 1.57100 2.05100 1.000 H63 H -2.60800 -2.24600 1.77600 1.000 H64 H -2.45500 -1.46300 0.18600 1.000 H65 H -2.22400 -3.90500 -0.48400 1.000 H66 H -0.56100 -5.58400 -1.15900 1.000 H67 H 1.76300 -5.40000 -0.35400 1.000 H68 H 2.40900 -3.53200 1.10500 1.000 H69 H 1.62300 -1.91300 2.75100 1.000 H70 H 1.44100 -0.78600 1.38900 1.000 H71 H -0.62400 -1.51400 3.49300 1.000 H72 H 1.00900 0.28200 4.04300 1.000 H73 H 0.58100 1.12600 2.53500 1.000 H74 H -1.34800 0.47900 4.66700 1.000 H75 H -0.63600 1.96700 4.45300 1.000