# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JDV' 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 8.45800 1.35300 0.40500 1.000 C1 C 7.28200 -0.01900 1.82400 1.000 C2 C 7.53200 -0.83900 0.49200 1.000 C3 C 8.71500 -0.06500 -0.16500 1.000 C4 C 6.34400 -0.64900 -0.46800 1.000 C5 C 6.87800 0.16400 -1.68100 1.000 C6 C 8.40800 -0.10300 -1.67100 1.000 C7 C 6.74200 1.64200 -1.33200 1.000 C8 C 4.02300 -0.16400 -0.19200 1.000 C9 C 1.62000 0.21000 -0.03900 1.000 C10 C -0.66600 1.18200 -0.30000 1.000 C11 C -3.97800 1.75100 0.82200 1.000 C12 C 0.73900 1.42600 0.25200 1.000 C13 C 1.08800 -1.00100 0.73000 1.000 C14 C -4.10400 0.39000 0.99800 1.000 C15 C -5.30600 -0.24600 0.70100 1.000 C16 C -6.39600 0.48800 0.22400 1.000 C17 C -6.24400 1.88000 0.05200 1.000 C18 C -5.05300 2.49200 0.35500 1.000 C19 C -7.38700 -1.54200 0.21600 1.000 C20 C -9.70200 -2.00900 -0.48800 1.000 C21 C 1.88000 -2.22600 0.34900 1.000 C22 C 3.01500 -2.56300 1.06100 1.000 C23 C 3.74200 -3.68600 0.71300 1.000 C24 C 3.33200 -4.47300 -0.35000 1.000 C25 C 2.19400 -4.13400 -1.06200 1.000 C26 C 1.46700 -3.01400 -0.70900 1.000 C27 C -10.92500 -2.86400 -0.15000 1.000 C28 C -10.36500 -2.85700 -1.57400 1.000 C29 C -1.42000 3.45800 -1.13000 1.000 C30 C -1.96600 2.93800 -2.46100 1.000 C31 C -3.45400 2.61400 -2.30900 1.000 C32 C -1.78500 4.00800 -3.53900 1.000 F33 F 4.04200 -5.57100 -0.69100 1.000 N34 N 2.99500 0.49000 0.38300 1.000 N35 N -1.47600 2.39100 -0.12800 1.000 N36 N -7.47900 -0.27800 -0.01800 1.000 N37 N -8.40200 -2.45500 0.02000 1.000 O38 O 8.24900 1.05400 1.82500 1.000 O39 O 7.17900 1.85200 -0.00100 1.000 O40 O 5.28700 0.09300 0.19500 1.000 O41 O 3.81000 -0.98700 -1.06100 1.000 O42 O -2.74600 3.93600 1.31700 1.000 O43 O -1.84800 1.79200 2.23700 1.000 O44 O 0.66700 1.63500 1.66400 1.000 S45 S -2.45400 2.55100 1.19900 1.000 S46 S -5.78200 -1.93900 0.81400 1.000 H47 H 9.27400 2.05100 0.21700 1.000 H48 H 6.27100 0.38800 1.82700 1.000 H49 H 7.42800 -0.66300 2.69100 1.000 H50 H 7.76400 -1.88700 0.68300 1.000 H51 H 9.69600 -0.46300 0.09500 1.000 H52 H 5.97100 -1.62000 -0.79400 1.000 H53 H 6.39100 -0.10100 -2.62000 1.000 H54 H 8.94600 0.68500 -2.20000 1.000 H55 H 8.63700 -1.08100 -2.09300 1.000 H56 H 7.36900 2.23500 -1.99800 1.000 H57 H 5.70200 1.94900 -1.43600 1.000 H58 H 1.60500 -0.00300 -1.10800 1.000 H59 H -0.60200 0.93500 -1.36000 1.000 H60 H -1.13000 0.35500 0.23800 1.000 H61 H 1.16900 2.30800 -0.22300 1.000 H62 H 1.18600 -0.82400 1.80100 1.000 H63 H 0.03800 -1.15600 0.48200 1.000 H64 H -3.26700 -0.18500 1.36700 1.000 H65 H -7.07100 2.46900 -0.31600 1.000 H66 H -4.94900 3.55800 0.21900 1.000 H67 H -9.84100 -0.92800 -0.53700 1.000 H68 H 3.33500 -1.94900 1.89000 1.000 H69 H 4.62900 -3.95000 1.27000 1.000 H70 H 1.87400 -4.74700 -1.89200 1.000 H71 H 0.57700 -2.75100 -1.26300 1.000 H72 H -10.76200 -3.75900 0.45000 1.000 H73 H -11.86800 -2.34700 0.02300 1.000 H74 H -10.94100 -2.33500 -2.33900 1.000 H75 H -9.83500 -3.74800 -1.91100 1.000 H76 H -0.38600 3.77900 -1.26200 1.000 H77 H -2.02200 4.30300 -0.79500 1.000 H78 H -1.42500 2.03700 -2.74800 1.000 H79 H -3.98000 3.48900 -1.92800 1.000 H80 H -3.86600 2.33600 -3.27900 1.000 H81 H -3.57600 1.78500 -1.61200 1.000 H82 H -0.72500 4.23900 -3.64700 1.000 H83 H -2.17500 3.63700 -4.48800 1.000 H84 H -2.32600 4.90900 -3.25200 1.000 H85 H 3.16500 1.14700 1.07600 1.000 H86 H -8.25600 -3.39400 0.21900 1.000 H87 H 0.29400 0.88800 2.15300 1.000