# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9VS' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy O0 O 7.47700 -4.02400 1.89100 1.000 C1 C 6.32500 -4.58500 1.25800 1.000 C2 C 6.36200 -4.27000 -0.23900 1.000 C3 C 5.12900 -4.87000 -0.91700 1.000 C4 C 5.06100 -3.98400 1.87500 1.000 C5 C 3.82800 -4.58500 1.19600 1.000 C6 C 3.86400 -4.26900 -0.30000 1.000 N7 N 3.86900 -2.81700 -0.49300 1.000 C8 C 2.67600 -2.11800 -0.51100 1.000 C9 C 2.66700 -0.72300 -0.69500 1.000 C10 C 3.93200 0.02900 -0.87600 1.000 C11 C 4.06900 0.92300 -1.93700 1.000 C12 C 5.24900 1.62000 -2.10100 1.000 C13 C 6.29400 1.43300 -1.21400 1.000 C14 C 7.58000 2.19800 -1.39700 1.000 N15 N 7.50400 3.46700 -0.66100 1.000 C16 C 8.63300 4.34200 -1.00300 1.000 C17 C 8.47600 5.68100 -0.27800 1.000 N18 N 8.41600 5.44600 1.17100 1.000 C19 C 9.68300 4.89000 1.66700 1.000 C20 C 7.28700 4.57000 1.51400 1.000 C21 C 7.44500 3.23100 0.78900 1.000 C22 C 6.16300 0.54800 -0.15900 1.000 C23 C 4.98600 -0.15000 0.01800 1.000 C24 C 1.43700 -0.06700 -0.70400 1.000 N25 N 0.33000 -0.77100 -0.54000 1.000 C26 C 0.37500 -2.08500 -0.36900 1.000 N27 N -0.81000 -2.78100 -0.20100 1.000 C28 C -2.01800 -2.08900 -0.09900 1.000 C29 C -3.18300 -2.64700 -0.61700 1.000 C30 C -4.37600 -1.96700 -0.51900 1.000 C31 C -4.41600 -0.71500 0.10300 1.000 C32 C -5.65600 -0.00500 0.20800 1.000 C33 C -6.67200 0.57700 0.29400 1.000 C34 C -7.91100 1.28800 0.39800 1.000 N35 N -7.94200 2.47800 0.99100 1.000 C36 C -9.06100 3.16100 1.10700 1.000 C37 C -10.25300 2.66300 0.61400 1.000 C38 C -10.26700 1.42300 -0.01300 1.000 C39 C -11.55000 0.85300 -0.56200 1.000 O40 O -12.63700 1.76300 -0.32500 1.000 C41 C -13.80300 0.96700 -0.05000 1.000 C42 C -13.31100 -0.49700 -0.09800 1.000 O43 O -11.88800 -0.36700 0.13300 1.000 C44 C -9.07800 0.72800 -0.12800 1.000 C45 C -3.24300 -0.15800 0.62300 1.000 C46 C -2.05500 -0.84700 0.52500 1.000 N47 N 1.51900 -2.75200 -0.35800 1.000 H48 H 7.51900 -4.18500 2.84400 1.000 H49 H 6.32200 -5.66500 1.40100 1.000 H50 H 6.36600 -3.18900 -0.38300 1.000 H51 H 7.26300 -4.69800 -0.67800 1.000 H52 H 5.15500 -4.64600 -1.98300 1.000 H53 H 5.12500 -5.95100 -0.77300 1.000 H54 H 5.03400 -4.20900 2.94100 1.000 H55 H 5.06400 -2.90400 1.73100 1.000 H56 H 3.82400 -5.66500 1.34000 1.000 H57 H 2.92700 -4.15700 1.63600 1.000 H58 H 2.98600 -4.69700 -0.78400 1.000 H59 H 4.70900 -2.34600 -0.60900 1.000 H60 H 3.25400 1.06900 -2.63000 1.000 H61 H 5.35600 2.31200 -2.92200 1.000 H62 H 8.41200 1.60600 -1.01700 1.000 H63 H 7.73300 2.40100 -2.45700 1.000 H64 H 9.56600 3.87000 -0.69600 1.000 H65 H 8.64900 4.51200 -2.08000 1.000 H66 H 9.32700 6.32100 -0.50800 1.000 H67 H 7.55600 6.16600 -0.60600 1.000 H68 H 10.49200 5.59000 1.45900 1.000 H69 H 9.61100 4.72600 2.74200 1.000 H70 H 9.88400 3.94300 1.16700 1.000 H71 H 7.27200 4.40100 2.59100 1.000 H72 H 6.35400 5.04200 1.20700 1.000 H73 H 6.59300 2.59100 1.01900 1.000 H74 H 8.36400 2.74600 1.11600 1.000 H75 H 6.98300 0.40600 0.53000 1.000 H76 H 4.88400 -0.83800 0.84400 1.000 H77 H 1.38900 1.00300 -0.84300 1.000 H78 H -0.80100 -3.75000 -0.15500 1.000 H79 H -3.15100 -3.61400 -1.09700 1.000 H80 H -5.28000 -2.40000 -0.92200 1.000 H81 H -9.04900 4.12500 1.59400 1.000 H82 H -11.16500 3.23200 0.71500 1.000 H83 H -11.44700 0.66000 -1.63000 1.000 H84 H -14.19700 1.20100 0.93900 1.000 H85 H -14.56500 1.13500 -0.81100 1.000 H86 H -13.77800 -1.08700 0.69000 1.000 H87 H -13.50500 -0.93600 -1.07700 1.000 H88 H -9.05200 -0.23700 -0.61300 1.000 H89 H -3.27000 0.80800 1.10400 1.000 H90 H -1.14900 -0.42000 0.93000 1.000