# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JFK' 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 -0.94400 2.19600 1.06400 1.000 N1 N 1.12100 1.59700 -0.07200 1.000 O2 O -1.73200 1.88500 1.93200 1.000 C3 C 0.49500 1.80500 1.24200 1.000 C4 C 1.23300 2.92700 1.97600 1.000 C5 C -7.89200 -2.80000 -2.00800 1.000 C6 C -4.59000 -3.16300 2.51000 1.000 O7 O 8.34800 -2.75000 0.14700 1.000 O8 O 0.06500 -0.62900 -0.22000 1.000 O9 O 1.28800 0.32500 -2.18000 1.000 C10 C -5.37800 0.25300 -0.98400 1.000 C11 C -6.22100 -0.79300 -1.31000 1.000 C12 C 2.62100 -1.47900 0.89200 1.000 C13 C 3.76400 -2.11700 1.31200 1.000 C14 C -4.58800 -0.97300 0.92500 1.000 C15 C 3.78800 -0.56700 -0.98200 1.000 C16 C 2.70400 2.94000 1.57600 1.000 C17 C -3.75700 2.33800 -0.40800 1.000 C18 C 2.86400 3.31900 0.10800 1.000 C19 C 0.64500 3.82400 -0.96100 1.000 C20 C -2.76800 3.38500 0.10700 1.000 C21 C -0.68800 3.10900 -1.22900 1.000 N22 N 6.18700 -2.56900 0.86900 1.000 O23 O -7.08400 -2.95900 -0.84000 1.000 O24 O -5.46600 -3.13500 1.38100 1.000 O25 O -3.73300 1.19600 0.45200 1.000 S26 S 6.57800 -1.27100 -1.22900 1.000 C27 C -4.56100 0.16600 0.13300 1.000 C28 C 2.62100 -0.70300 -0.25500 1.000 C29 C -6.25400 -1.92900 -0.51800 1.000 C30 C -5.43900 -2.01700 0.60600 1.000 C31 C 7.21100 -2.32800 0.04400 1.000 C32 C 4.95900 -1.99700 0.58700 1.000 C33 C 4.93900 -1.21200 -0.56600 1.000 C34 C 1.72300 2.76000 -0.72800 1.000 N35 N -1.40500 2.85700 0.01200 1.000 S36 S 1.14600 0.10200 -0.78400 1.000 H37 H 0.55400 0.88500 1.82300 1.000 H38 H 0.78000 3.88500 1.71900 1.000 H39 H 1.15200 2.76900 3.05100 1.000 H40 H -8.50400 -3.69100 -2.15000 1.000 H41 H -8.53800 -1.93100 -1.88800 1.000 H42 H -7.25000 -2.65900 -2.87800 1.000 H43 H -3.55900 -3.06600 2.17100 1.000 H44 H -4.83200 -2.33600 3.17800 1.000 H45 H -4.71200 -4.10700 3.04000 1.000 H46 H -5.35300 1.13800 -1.60200 1.000 H47 H -6.85400 -0.72500 -2.18200 1.000 H48 H 1.70900 -1.58700 1.46200 1.000 H49 H 3.74100 -2.71700 2.21000 1.000 H50 H -3.95100 -1.04100 1.79500 1.000 H51 H 3.79900 0.03500 -1.87800 1.000 H52 H 3.23600 3.66300 2.19400 1.000 H53 H 3.12800 1.94900 1.73800 1.000 H54 H -4.76100 2.76200 -0.42000 1.000 H55 H -3.47700 2.03800 -1.41800 1.000 H56 H 2.87400 4.40600 0.01800 1.000 H57 H 3.80800 2.92100 -0.26400 1.000 H58 H 0.91400 4.43500 -1.82300 1.000 H59 H 0.55500 4.45600 -0.07700 1.000 H60 H -2.85000 4.28900 -0.49600 1.000 H61 H -2.99500 3.61900 1.14700 1.000 H62 H -1.30400 3.73300 -1.87600 1.000 H63 H -0.49000 2.16100 -1.73000 1.000 H64 H 6.30300 -3.13300 1.65000 1.000 H65 H 2.12700 2.45000 -1.69200 1.000