# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JGN' 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 -1.90300 -0.65200 0.58700 1.000 C1 C -3.17900 -0.82300 0.02000 1.000 C2 C -5.16700 0.09300 -1.21100 1.000 C3 C -1.22300 2.98400 -0.15400 1.000 C4 C 1.07300 -0.92300 -0.28000 1.000 C5 C 2.05500 -1.15900 -1.43100 1.000 C6 C 3.46800 -0.78700 -0.97400 1.000 C7 C 3.47800 0.67400 -0.51300 1.000 C8 C 2.45600 0.85600 0.61000 1.000 C9 C 2.44900 2.31900 1.06000 1.000 C10 C 4.51700 -2.83300 -0.29800 1.000 N11 N -3.54400 -2.13400 0.23000 1.000 C12 C -2.55100 -2.79100 0.90400 1.000 C13 C -1.52900 -1.95400 1.14500 1.000 C14 C -3.80000 0.25700 -0.59800 1.000 C15 C -1.27400 0.59300 0.52500 1.000 C16 C -1.90300 1.64000 -0.08700 1.000 C17 C -3.16200 1.47700 -0.64900 1.000 C18 C 0.09300 0.78200 1.13100 1.000 N19 N 1.12000 0.48800 0.12300 1.000 O20 O 2.17500 3.16100 -0.06100 1.000 O21 O 3.85800 -1.63200 0.11000 1.000 H22 H -5.92900 0.31700 -0.46400 1.000 H23 H -5.27200 0.77700 -2.05300 1.000 H24 H -5.28900 -0.93300 -1.55800 1.000 H25 H -0.62700 3.04500 -1.06500 1.000 H26 H -1.97700 3.77200 -0.16000 1.000 H27 H -0.57500 3.10700 0.71300 1.000 H28 H 0.06400 -1.17400 -0.60700 1.000 H29 H 1.34800 -1.55300 0.56600 1.000 H30 H 2.03100 -2.21000 -1.72000 1.000 H31 H 1.77200 -0.54100 -2.28300 1.000 H32 H 4.16400 -0.91300 -1.80400 1.000 H33 H 4.47200 0.93200 -0.14700 1.000 H34 H 3.21900 1.32100 -1.35100 1.000 H35 H 2.72400 0.21900 1.45300 1.000 H36 H 1.67900 2.46200 1.81800 1.000 H37 H 3.42200 2.57500 1.47800 1.000 H38 H 3.85100 -3.41400 -0.93600 1.000 H39 H 5.42100 -2.58100 -0.85100 1.000 H40 H 4.78000 -3.42000 0.58200 1.000 H41 H -4.38000 -2.53200 -0.05800 1.000 H42 H -2.58100 -3.83100 1.19300 1.000 H43 H -0.61000 -2.19300 1.65800 1.000 H44 H -3.64600 2.31400 -1.13000 1.000 H45 H 0.20100 1.81200 1.47100 1.000 H46 H 0.21100 0.10600 1.97800 1.000 H47 H 2.15500 4.10400 0.15100 1.000