# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9PE' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy P0 P -5.57400 2.72900 -0.69600 1.000 N1 N -8.65800 0.66900 -3.06400 1.000 O2 O -4.96700 1.70600 0.38900 1.000 O3 O -6.52700 3.64500 -0.03200 1.000 O4 O -6.33800 1.90100 -1.84600 1.000 O5 O -4.37800 3.58400 -1.35500 1.000 C6 C -7.07200 2.52800 -2.89900 1.000 C7 C -7.66900 1.45500 -3.81300 1.000 C8 C -4.32100 2.13700 1.58900 1.000 C9 C -3.86600 0.91600 2.39000 1.000 C10 C -5.06200 -0.00500 2.63900 1.000 O11 O -5.68500 -0.34300 1.37100 1.000 O12 O -7.16100 -1.56100 2.47700 1.000 C13 C -6.75600 -1.15000 1.41500 1.000 C14 C -7.45500 -1.54500 0.13900 1.000 C15 C -8.63500 -2.46100 0.46600 1.000 C16 C -9.34400 -2.86200 -0.83000 1.000 C17 C -10.52500 -3.77900 -0.50200 1.000 C18 C -11.23400 -4.17900 -1.79800 1.000 C19 C -12.41400 -5.09600 -1.47100 1.000 O20 O -2.84900 0.19700 1.64300 1.000 O21 O -1.31300 1.43900 2.63300 1.000 C22 C -1.57300 0.55500 1.85200 1.000 C23 C -0.46300 -0.14600 1.11100 1.000 C24 C 0.88300 0.44800 1.52900 1.000 C25 C 2.01000 -0.26300 0.77700 1.000 C26 C 3.35700 0.33100 1.19500 1.000 C27 C 4.48400 -0.38100 0.44400 1.000 C28 C 5.83000 0.21300 0.86100 1.000 C29 C 6.95700 -0.49800 0.11000 1.000 C30 C 8.30300 0.09600 0.52800 1.000 C31 C 9.43000 -0.61600 -0.22400 1.000 C32 C 10.77700 -0.02200 0.19400 1.000 C33 C 11.90300 -0.73300 -0.55800 1.000 C34 C 13.25000 -0.13900 -0.14000 1.000 C35 C 14.37700 -0.85100 -0.89100 1.000 C36 C 15.72300 -0.25700 -0.47400 1.000 C37 C 16.85000 -0.96900 -1.22500 1.000 C38 C 18.19700 -0.37400 -0.80800 1.000 C39 C 19.32300 -1.08600 -1.55900 1.000 H40 H -9.37000 1.26500 -2.67000 1.000 H41 H -9.06700 -0.04700 -3.64600 1.000 H42 H -3.71400 3.04600 -1.80800 1.000 H43 H -7.87500 3.13000 -2.47400 1.000 H44 H -6.40500 3.16700 -3.47700 1.000 H45 H -6.87600 0.79800 -4.16800 1.000 H46 H -8.15400 1.93300 -4.66500 1.000 H47 H -3.45500 2.74800 1.33500 1.000 H48 H -5.01800 2.72500 2.18600 1.000 H49 H -3.45300 1.24100 3.34500 1.000 H50 H -4.72300 -0.91600 3.13200 1.000 H51 H -5.78700 0.50400 3.27500 1.000 H52 H -7.81900 -0.65000 -0.36800 1.000 H53 H -6.75500 -2.07100 -0.51100 1.000 H54 H -8.27100 -3.35600 0.97200 1.000 H55 H -9.33500 -1.93500 1.11500 1.000 H56 H -9.70800 -1.96800 -1.33600 1.000 H57 H -8.64500 -3.38800 -1.47900 1.000 H58 H -10.16100 -4.67300 0.00400 1.000 H59 H -11.22400 -3.25300 0.14700 1.000 H60 H -11.59700 -3.28500 -2.30400 1.000 H61 H -10.53400 -4.70500 -2.44700 1.000 H62 H -13.11400 -4.57000 -0.82100 1.000 H63 H -12.91900 -5.38100 -2.39300 1.000 H64 H -12.05000 -5.99000 -0.96400 1.000 H65 H -0.48100 -1.20900 1.35100 1.000 H66 H -0.60100 -0.01300 0.03800 1.000 H67 H 0.90200 1.51200 1.28900 1.000 H68 H 1.02200 0.31600 2.60200 1.000 H69 H 1.99200 -1.32600 1.01700 1.000 H70 H 1.87200 -0.13100 -0.29600 1.000 H71 H 3.37500 1.39400 0.95500 1.000 H72 H 3.49500 0.19800 2.26800 1.000 H73 H 4.46500 -1.44400 0.68400 1.000 H74 H 4.34500 -0.24800 -0.62900 1.000 H75 H 5.84800 1.27600 0.62200 1.000 H76 H 5.96900 0.08100 1.93400 1.000 H77 H 6.93900 -1.56100 0.35000 1.000 H78 H 6.81800 -0.36600 -0.96300 1.000 H79 H 8.32200 1.15900 0.28800 1.000 H80 H 8.44200 -0.03700 1.60100 1.000 H81 H 9.41200 -1.67900 0.01600 1.000 H82 H 9.29200 -0.48300 -1.29700 1.000 H83 H 10.79500 1.04100 -0.04600 1.000 H84 H 10.91500 -0.15400 1.26700 1.000 H85 H 11.88500 -1.79700 -0.31800 1.000 H86 H 11.76500 -0.60100 -1.63100 1.000 H87 H 13.26800 0.92400 -0.38000 1.000 H88 H 13.38900 -0.27200 0.93300 1.000 H89 H 14.35900 -1.91400 -0.65100 1.000 H90 H 14.23800 -0.71800 -1.96400 1.000 H91 H 15.74100 0.80600 -0.71400 1.000 H92 H 15.86200 -0.38900 0.59900 1.000 H93 H 16.83200 -2.03200 -0.98500 1.000 H94 H 16.71200 -0.83600 -2.29800 1.000 H95 H 18.21500 0.68900 -1.04700 1.000 H96 H 18.33500 -0.50700 0.26600 1.000 H97 H 19.30500 -2.14900 -1.31900 1.000 H98 H 19.18500 -0.95300 -2.63200 1.000 H99 H 20.28300 -0.66300 -1.26100 1.000