# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'IVS' 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 -2.70500 0.02200 7.92900 1.000 O1 O -2.21200 -0.34600 6.61400 1.000 C2 C -0.97700 0.01700 6.23400 1.000 O3 O -0.27600 0.65100 6.98600 1.000 C4 C -0.46600 -0.36400 4.86900 1.000 C5 C 0.95600 0.16800 4.69000 1.000 O6 O 0.95100 1.59200 4.81500 1.000 C7 C 1.47600 -0.21900 3.30400 1.000 C8 C 2.89900 0.31400 3.12500 1.000 N9 N 0.60500 0.35700 2.27700 1.000 C10 C 0.33200 -0.33800 1.15600 1.000 O11 O 0.71600 -1.48400 1.04600 1.000 C12 C -0.44900 0.30500 0.04000 1.000 N13 N -0.01700 -0.25200 -1.24300 1.000 C14 C -0.07400 0.50100 -2.35800 1.000 O15 O -0.40100 1.66600 -2.28600 1.000 C16 C 0.26900 -0.10300 -3.69500 1.000 N17 N -0.44900 0.60900 -4.75300 1.000 C18 C -0.80700 -0.03800 -5.88000 1.000 O19 O -0.53300 -1.21200 -6.01700 1.000 C20 C -1.54700 0.69500 -6.96800 1.000 C21 C -1.83000 -0.26200 -8.12700 1.000 C22 C -2.58100 0.48200 -9.23300 1.000 C23 C -4.12800 -0.51100 8.10800 1.000 C24 C 3.47700 -0.20600 1.80800 1.000 C25 C 4.83300 0.45200 1.55000 1.000 C26 C 3.65500 -1.72300 1.89300 1.000 C27 C -1.94100 0.03100 0.23900 1.000 C28 C -2.17700 -1.47700 0.31700 1.000 C29 C -2.41100 0.68800 1.53900 1.000 C30 C 1.77600 0.01200 -3.93500 1.000 C31 C 2.20400 1.47300 -3.79200 1.000 C32 C 2.52300 -0.84100 -2.90800 1.000 C33 C -0.50800 -0.79800 -8.68100 1.000 H34 H -2.71000 1.10800 8.02400 1.000 H35 H -2.05800 -0.40600 8.69300 1.000 H36 H -0.46100 -1.45000 4.77400 1.000 H37 H -1.11300 0.06400 4.10500 1.000 H38 H 1.60400 -0.26000 5.45400 1.000 H39 H 0.36700 1.93100 4.12300 1.000 H40 H 1.48000 -1.30500 3.20900 1.000 H41 H 2.87900 1.40300 3.10800 1.000 H42 H 3.52100 -0.02400 3.95400 1.000 H43 H 0.22500 1.24100 2.40400 1.000 H44 H -0.27200 1.38000 0.04700 1.000 H45 H 0.30800 -1.16500 -1.29000 1.000 H46 H -0.01900 -1.15400 -3.70300 1.000 H47 H -0.66800 1.54800 -4.64300 1.000 H48 H -2.48800 1.07700 -6.57400 1.000 H49 H -0.93800 1.52600 -7.32500 1.000 H50 H -2.43900 -1.09300 -7.77100 1.000 H51 H -2.78300 -0.20000 -10.05800 1.000 H52 H -3.52300 0.86400 -8.83800 1.000 H53 H -1.97300 1.31300 -9.58900 1.000 H54 H -4.49800 -0.23400 9.09500 1.000 H55 H -4.77600 -0.08100 7.34400 1.000 H56 H -4.12400 -1.59600 8.01300 1.000 H57 H 2.79500 0.03300 0.99200 1.000 H58 H 5.24500 0.08100 0.61200 1.000 H59 H 4.70600 1.53300 1.48900 1.000 H60 H 5.51500 0.21100 2.36600 1.000 H61 H 4.40500 -1.95900 2.64800 1.000 H62 H 2.70600 -2.18500 2.16800 1.000 H63 H 3.97900 -2.10600 0.92600 1.000 H64 H -2.50100 0.44400 -0.59900 1.000 H65 H -3.24000 -1.67200 0.45800 1.000 H66 H -1.84200 -1.94500 -0.60800 1.000 H67 H -1.61700 -1.89000 1.15600 1.000 H68 H -1.97500 0.16400 2.38900 1.000 H69 H -2.09500 1.73100 1.55400 1.000 H70 H -3.49800 0.63700 1.59900 1.000 H71 H 2.01200 -0.33900 -4.93900 1.000 H72 H 3.27700 1.55600 -3.96300 1.000 H73 H 1.67200 2.08100 -4.52300 1.000 H74 H 1.96800 1.82500 -2.78700 1.000 H75 H 2.24000 -0.52900 -1.90200 1.000 H76 H 2.26400 -1.89000 -3.04900 1.000 H77 H 3.59700 -0.71100 -3.04000 1.000 H78 H 0.09900 0.03200 -9.03700 1.000 H79 H 0.02600 -1.32900 -7.89300 1.000 H80 H -0.71000 -1.48100 -9.50600 1.000