# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '97V' 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 7.63100 2.12600 0.38000 1.000 C1 C 5.92500 0.05000 -0.49800 1.000 C2 C 5.81700 -0.01500 -1.87500 1.000 C3 C 4.58400 -0.22700 -2.46600 1.000 C4 C 3.45700 -0.37400 -1.68100 1.000 C5 C 3.56300 -0.31000 -0.29800 1.000 C6 C 1.42400 -1.27300 0.10300 1.000 C7 C 0.08400 -0.44400 1.96100 1.000 C8 C -0.57500 0.82900 1.49600 1.000 C9 C 0.20300 1.89700 1.08600 1.000 C10 C -0.39300 3.06500 0.65900 1.000 C11 C -1.78500 3.16800 0.64200 1.000 C12 C -2.43100 4.41700 0.18500 1.000 C13 C -4.38200 5.68600 -0.25900 1.000 N14 N 2.42300 -0.45900 0.50000 1.000 N15 N 0.28300 -1.33700 0.81700 1.000 N16 N -3.77500 4.51400 0.17000 1.000 N17 N -3.75400 6.80500 -0.68700 1.000 N18 N -4.78400 7.70600 -1.00800 1.000 N19 N -5.89700 7.10200 -0.76500 1.000 N20 N -5.67400 5.91500 -0.33100 1.000 O21 O 8.42800 -0.18000 -0.70100 1.000 O22 O 7.37800 -0.26500 1.53800 1.000 O23 O 1.55400 -1.95000 -0.89900 1.000 O24 O -1.75000 5.35600 -0.17700 1.000 S25 S 7.49700 0.32200 0.24900 1.000 C26 C -2.56500 2.08700 1.05700 1.000 C27 C -1.95500 0.92300 1.47700 1.000 C28 C -0.71200 -2.25600 0.46500 1.000 C29 C -1.00700 -3.31900 1.30900 1.000 C30 C -1.98900 -4.22500 0.95900 1.000 C31 C -2.67800 -4.07400 -0.23000 1.000 C32 C -3.74500 -5.06800 -0.61200 1.000 C33 C -3.13000 -6.46500 -0.70900 1.000 C34 C -4.21300 -7.47400 -1.09700 1.000 C35 C -5.31400 -7.47400 -0.03400 1.000 C36 C -5.92900 -6.07600 0.06300 1.000 C37 C -4.84600 -5.06800 0.45000 1.000 C38 C -2.38600 -3.01700 -1.07300 1.000 C39 C -1.41000 -2.10500 -0.72600 1.000 C40 C 4.80100 -0.09100 0.29200 1.000 H41 H 6.81700 2.50700 0.99700 1.000 H42 H 8.58500 2.38700 0.83700 1.000 H43 H 7.57100 2.56800 -0.61400 1.000 H44 H 6.69600 0.10100 -2.49100 1.000 H45 H 4.50300 -0.27700 -3.54200 1.000 H46 H 2.49500 -0.53900 -2.14300 1.000 H47 H 1.04800 -0.21100 2.41200 1.000 H48 H -0.55300 -0.93400 2.69800 1.000 H49 H 1.28000 1.81500 1.09900 1.000 H50 H 0.21500 3.89800 0.33900 1.000 H51 H 2.35100 0.02300 1.33800 1.000 H52 H -4.31900 3.76400 0.45800 1.000 H53 H -2.79800 6.95400 -0.75700 1.000 H54 H -3.64200 2.16100 1.04700 1.000 H55 H -2.55700 0.08400 1.79400 1.000 H56 H -0.46900 -3.43800 2.23800 1.000 H57 H -2.21900 -5.05100 1.61500 1.000 H58 H -4.17100 -4.79100 -1.57700 1.000 H59 H -2.34500 -6.46500 -1.46600 1.000 H60 H -2.70400 -6.74200 0.25500 1.000 H61 H -4.63900 -7.19700 -2.06100 1.000 H62 H -3.77400 -8.46900 -1.16500 1.000 H63 H -6.08500 -8.19200 -0.31000 1.000 H64 H -4.88800 -7.75100 0.93000 1.000 H65 H -6.35500 -5.79900 -0.90100 1.000 H66 H -6.71300 -6.07600 0.82000 1.000 H67 H -4.42000 -5.34500 1.41500 1.000 H68 H -5.28400 -4.07200 0.51900 1.000 H69 H -2.92600 -2.90200 -2.00100 1.000 H70 H -1.18200 -1.27900 -1.38400 1.000 H71 H 4.88600 -0.04100 1.36700 1.000