# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0JH' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy N0 N 3.93900 2.64600 -0.55100 1.000 C1 C 3.97500 1.26800 -0.67100 1.000 C2 C 2.84600 0.49200 -0.37400 1.000 C3 C 2.93100 -0.90400 -0.51100 1.000 N4 N 1.71200 -1.42400 -0.16600 1.000 C5 C 1.37900 -2.85000 -0.17200 1.000 C6 C 1.69700 -3.45400 1.19800 1.000 C7 C 1.34800 -4.94400 1.19100 1.000 O8 O 1.64500 -5.50800 2.47000 1.000 C9 C 0.85100 -0.42100 0.18500 1.000 C10 C -0.57700 -0.61700 0.62300 1.000 C11 C -1.50900 -0.42600 -0.57600 1.000 C12 C -2.94200 -0.48800 -0.11300 1.000 O13 O -3.94000 -0.34600 -0.99900 1.000 C14 C -5.29500 -0.41700 -0.48300 1.000 C15 C -6.28900 -0.23400 -1.63200 1.000 C16 C -5.52000 -1.78000 0.17300 1.000 C17 C -5.50400 0.68900 0.55300 1.000 O18 O -3.19200 -0.66700 1.05500 1.000 C19 C -1.26500 -1.49200 -1.56100 1.000 N20 N -1.07600 -2.31500 -2.32100 1.000 C21 C 1.47900 0.77600 0.08100 1.000 C22 C 0.90000 2.11000 0.36900 1.000 C23 C 0.68200 3.01700 -0.66700 1.000 C24 C 0.14300 4.25700 -0.39300 1.000 C25 C -0.18300 4.60100 0.90700 1.000 C26 C -0.77200 5.95700 1.20000 1.000 C27 C 0.03100 3.70500 1.93900 1.000 C28 C 0.56400 2.46000 1.67600 1.000 N29 N 4.08400 -1.43400 -0.91700 1.000 C30 C 5.11900 -0.66800 -1.18400 1.000 N31 N 5.07900 0.64800 -1.07500 1.000 H32 H 3.12500 3.08700 -0.25900 1.000 H33 H 4.72800 3.17100 -0.75600 1.000 H34 H 0.31700 -2.97400 -0.38600 1.000 H35 H 1.96500 -3.35700 -0.93800 1.000 H36 H 2.75900 -3.33000 1.41100 1.000 H37 H 1.11000 -2.94700 1.96400 1.000 H38 H 0.28700 -5.06800 0.97800 1.000 H39 H 1.93500 -5.45100 0.42600 1.000 H40 H 1.44900 -6.45200 2.53900 1.000 H41 H -0.70000 -1.62300 1.02300 1.000 H42 H -0.82400 0.11300 1.39500 1.000 H43 H -1.31700 0.54400 -1.03400 1.000 H44 H -6.14000 -1.02100 -2.37100 1.000 H45 H -7.30600 -0.28700 -1.24500 1.000 H46 H -6.12800 0.73800 -2.10000 1.000 H47 H -4.81200 -1.91100 0.99200 1.000 H48 H -6.53700 -1.83400 0.56100 1.000 H49 H -5.37100 -2.56800 -0.56500 1.000 H50 H -5.34400 1.66000 0.08600 1.000 H51 H -6.52200 0.63600 0.94100 1.000 H52 H -4.79700 0.55800 1.37200 1.000 H53 H 0.93600 2.75000 -1.68300 1.000 H54 H -0.02600 4.96100 -1.19500 1.000 H55 H -1.85900 5.90200 1.13500 1.000 H56 H -0.48400 6.26900 2.20300 1.000 H57 H -0.40100 6.67900 0.47300 1.000 H58 H -0.22500 3.97900 2.95200 1.000 H59 H 0.72600 1.75900 2.48200 1.000 H60 H 6.03700 -1.13300 -1.51100 1.000