# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '99P' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy N0 N 3.05400 1.91900 0.76600 1.000 C1 C 2.72700 0.58200 0.25500 1.000 C2 C 1.29200 0.55700 -0.20500 1.000 O3 O 0.71900 1.59400 -0.46100 1.000 C4 C 3.64600 0.24700 -0.92200 1.000 C5 C 5.06900 0.15100 -0.43700 1.000 C6 C 5.87200 1.27600 -0.42300 1.000 C7 C 5.57100 -1.06100 0.00000 1.000 C8 C 7.17800 1.18800 0.02200 1.000 C9 C 6.87600 -1.14900 0.44500 1.000 C10 C 7.68100 -0.02500 0.45400 1.000 N11 N 0.64600 -0.61900 -0.33100 1.000 C12 C -0.74800 -0.78800 -0.76700 1.000 C13 C -1.67100 -0.05100 0.16900 1.000 O14 O -1.21600 0.55900 1.11300 1.000 C15 C -1.05900 -2.29900 -0.73500 1.000 C16 C -0.00200 -2.85000 0.25900 1.000 C17 C 1.22100 -1.94900 -0.06000 1.000 N18 N -3.00200 -0.07100 -0.04300 1.000 C19 C -3.89900 0.64500 0.86700 1.000 C20 C -5.32500 0.46600 0.41100 1.000 C21 C -5.89100 1.35700 -0.48100 1.000 N22 N -7.13700 1.20600 -0.88500 1.000 C23 C -7.88900 0.21000 -0.45900 1.000 C24 C -7.39100 -0.71900 0.43400 1.000 C25 C -6.08200 -0.59700 0.87700 1.000 H26 H 3.99100 1.94500 1.14000 1.000 H27 H 2.93200 2.62000 0.05000 1.000 H28 H 2.86800 -0.15400 1.04700 1.000 H29 H 3.34500 -0.70700 -1.35700 1.000 H30 H 3.57100 1.03000 -1.67600 1.000 H31 H 5.47900 2.22400 -0.76100 1.000 H32 H 4.94200 -1.93900 -0.00600 1.000 H33 H 7.80500 2.06700 0.03200 1.000 H34 H 7.26800 -2.09600 0.78700 1.000 H35 H 8.70100 -0.09300 0.80100 1.000 H36 H -0.86800 -0.40700 -1.78200 1.000 H37 H -2.06800 -2.47500 -0.36100 1.000 H38 H -0.92900 -2.74400 -1.72200 1.000 H39 H -0.32900 -2.71900 1.29000 1.000 H40 H 0.22100 -3.89600 0.05100 1.000 H41 H 1.75000 -2.32500 -0.93600 1.000 H42 H 1.89100 -1.90200 0.79800 1.000 H43 H -3.36600 -0.55900 -0.79900 1.000 H44 H -3.78700 0.24700 1.87500 1.000 H45 H -3.64800 1.70600 0.86500 1.000 H46 H -5.30600 2.18600 -0.85200 1.000 H47 H -8.90600 0.12000 -0.81200 1.000 H48 H -8.01100 -1.53300 0.78000 1.000 H49 H -5.66500 -1.31100 1.57200 1.000