# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0PO' 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 -5.94800 -2.21400 -0.35800 1.000 O1 O -5.75500 -3.40500 -0.21200 1.000 N2 N -7.52300 -0.38400 -0.50100 1.000 C3 C -7.33100 -1.67900 -0.34100 1.000 C4 C -8.40500 -2.56200 -0.15500 1.000 C5 C -9.68300 -2.08300 -0.13700 1.000 C6 C -11.16500 -0.13800 -0.30200 1.000 C7 C -11.31500 1.20400 -0.47200 1.000 C8 C -10.20800 2.03100 -0.65300 1.000 C9 C -8.94600 1.52300 -0.66500 1.000 C10 C -9.87800 -0.70000 -0.30900 1.000 C11 C -8.74800 0.14000 -0.49300 1.000 N12 N -4.90500 -1.37900 -0.53600 1.000 C13 C -3.53900 -1.90700 -0.55300 1.000 C14 C -2.57500 -0.82000 -0.15300 1.000 O15 O -2.94400 0.33500 -0.11900 1.000 C16 C -3.19900 -2.39700 -1.96300 1.000 C17 C -4.10700 -3.57300 -2.32700 1.000 C18 C -3.41200 -1.25900 -2.96300 1.000 N19 N -1.30300 -1.13100 0.16700 1.000 C20 C -0.39000 -0.08700 0.63800 1.000 C21 C 1.05300 -0.50100 0.34300 1.000 O22 O 1.38200 -1.66300 1.10600 1.000 C23 C -0.56800 0.10300 2.14600 1.000 C24 C -1.95200 0.62800 2.42600 1.000 C25 C -2.99400 -0.25300 2.64800 1.000 C26 C -2.17900 1.99100 2.46600 1.000 C27 C -4.26400 0.22900 2.90600 1.000 C28 C -3.44900 2.47300 2.72300 1.000 C29 C -4.49200 1.59200 2.94100 1.000 C30 C 1.99800 0.64100 0.72000 1.000 N31 N 3.35600 0.32900 0.25400 1.000 C32 C 4.18200 1.54100 0.18700 1.000 C33 C 5.53700 1.20300 -0.43900 1.000 C34 C 6.23300 0.13400 0.41000 1.000 C35 C 5.33000 -1.09900 0.50300 1.000 C36 C 3.98100 -0.69400 1.10100 1.000 C37 C 3.48500 2.57800 -0.65600 1.000 O38 O 2.79200 2.23400 -1.59000 1.000 N39 N 12.20400 -1.65600 0.20200 1.000 C40 C 11.03100 -1.24400 0.64200 1.000 C41 C 9.87700 -1.94000 0.33600 1.000 C42 C 9.96400 -3.08300 -0.44300 1.000 C43 C 11.21500 -3.48600 -0.88700 1.000 C44 C 12.32500 -2.73900 -0.54000 1.000 C45 C 8.54000 -1.46200 0.84200 1.000 S46 S 7.80700 -0.32400 -0.36500 1.000 N47 N 3.63000 3.88700 -0.37100 1.000 C48 C 2.95300 4.89500 -1.19000 1.000 C49 C 1.44100 4.66900 -1.12800 1.000 C50 C 3.28200 6.29100 -0.65700 1.000 C51 C 3.42800 4.77700 -2.63900 1.000 H52 H -8.22100 -3.61900 -0.02600 1.000 H53 H -10.52200 -2.74800 0.00400 1.000 H54 H -12.03100 -0.76800 -0.16300 1.000 H55 H -12.30600 1.63400 -0.46700 1.000 H56 H -10.35400 3.09300 -0.78600 1.000 H57 H -8.09900 2.17900 -0.80700 1.000 H58 H -5.05900 -0.42900 -0.65300 1.000 H59 H -3.46200 -2.73800 0.14800 1.000 H60 H -2.15800 -2.71800 -1.99400 1.000 H61 H -5.14600 -3.24200 -2.33200 1.000 H62 H -3.84000 -3.94600 -3.31600 1.000 H63 H -3.98300 -4.36900 -1.59200 1.000 H64 H -2.76600 -0.42100 -2.70400 1.000 H65 H -3.17000 -1.60700 -3.96700 1.000 H66 H -4.45300 -0.93800 -2.93100 1.000 H67 H -0.99300 -2.04700 0.08500 1.000 H68 H -0.61200 0.84800 0.12500 1.000 H69 H 1.15800 -0.72300 -0.71900 1.000 H70 H 1.31000 -1.53800 2.06300 1.000 H71 H -0.43200 -0.85300 2.65100 1.000 H72 H 0.17200 0.81500 2.51100 1.000 H73 H -2.81500 -1.31800 2.62100 1.000 H74 H -1.36500 2.68000 2.29700 1.000 H75 H -5.07700 -0.46000 3.07900 1.000 H76 H -3.62700 3.53800 2.75500 1.000 H77 H -5.48400 1.96800 3.14100 1.000 H78 H 1.65700 1.56500 0.25300 1.000 H79 H 2.00600 0.76400 1.80400 1.000 H80 H 4.33400 1.93300 1.19300 1.000 H81 H 5.38700 0.82400 -1.45000 1.000 H82 H 6.15500 2.09900 -0.47400 1.000 H83 H 6.41800 0.52700 1.40900 1.000 H84 H 5.17700 -1.51400 -0.49300 1.000 H85 H 5.80100 -1.84700 1.14100 1.000 H86 H 4.13400 -0.29200 2.10300 1.000 H87 H 3.33100 -1.56800 1.15600 1.000 H88 H 10.97100 -0.35200 1.24800 1.000 H89 H 9.07900 -3.64800 -0.69800 1.000 H90 H 11.32000 -4.37200 -1.49500 1.000 H91 H 13.30200 -3.04600 -0.88200 1.000 H92 H 7.87900 -2.31700 0.98400 1.000 H93 H 8.67500 -0.94600 1.79300 1.000 H94 H 4.18400 4.16200 0.37700 1.000 H95 H 1.10200 4.75300 -0.09500 1.000 H96 H 0.93600 5.41900 -1.73800 1.000 H97 H 1.20600 3.67500 -1.50800 1.000 H98 H 4.35900 6.45100 -0.70000 1.000 H99 H 2.77800 7.04100 -1.26600 1.000 H100 H 2.94400 6.37400 0.37600 1.000 H101 H 3.19300 3.78300 -3.01900 1.000 H102 H 2.92300 5.52700 -3.24900 1.000 H103 H 4.50500 4.93800 -2.68300 1.000