# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '29C' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy O0 O 8.49800 -4.32800 -0.47200 1.000 C1 C 9.46800 -3.62600 -0.25600 1.000 C2 C 9.32000 -2.19600 0.06400 1.000 N3 N 10.72300 -4.13100 -0.29500 1.000 C4 C 10.49300 -1.44300 0.30300 1.000 N5 N 8.13000 -1.61500 0.13000 1.000 C6 C 11.79800 -3.32900 -0.05000 1.000 N7 N 10.38900 -0.14600 0.59600 1.000 N8 N 11.69100 -2.05400 0.23100 1.000 C9 C 8.04800 -0.33100 0.42100 1.000 N10 N 13.05100 -3.88300 -0.10000 1.000 C11 C 9.19800 0.41500 0.65700 1.000 C12 C 6.69700 0.33200 0.49700 1.000 N13 N 6.28200 0.75100 -0.84500 1.000 C14 C 5.06100 1.39000 -1.02700 1.000 C15 C 4.66800 1.78700 -2.30200 1.000 C16 C 4.23100 1.62700 0.06500 1.000 C17 C 3.46000 2.42000 -2.48600 1.000 C18 C 3.02200 2.25900 -0.11200 1.000 C19 C 2.62700 2.66400 -1.39000 1.000 C20 C 1.33200 3.34300 -1.58400 1.000 O21 O 0.98800 3.69100 -2.69700 1.000 N22 N 0.53000 3.57800 -0.52600 1.000 C23 C -0.75700 4.25200 -0.71800 1.000 C24 C -0.54800 5.74500 -0.70800 1.000 O25 O 0.56100 6.19800 -0.55600 1.000 C26 C -1.71000 3.86200 0.41300 1.000 C27 C -2.02000 2.36700 0.32600 1.000 C28 C -2.96000 1.98300 1.44000 1.000 O29 O -3.34400 2.82300 2.22600 1.000 O30 O -1.59500 6.57000 -0.86800 1.000 N31 N -3.37400 0.70600 1.56300 1.000 C32 C -4.28700 0.33300 2.64700 1.000 C33 C -3.49400 0.04500 3.89500 1.000 O34 O -2.29000 0.14100 3.88200 1.000 C35 C -5.07400 -0.91500 2.24300 1.000 C36 C -5.97400 -0.58600 1.05000 1.000 C37 C -6.75000 -1.81500 0.65200 1.000 O38 O -6.59800 -2.85200 1.26200 1.000 O39 O -4.12600 -0.31900 5.02200 1.000 N40 N -7.61200 -1.76300 -0.38200 1.000 C41 C -8.36600 -2.95800 -0.76900 1.000 C42 C -7.53000 -3.80100 -1.69700 1.000 O43 O -6.41800 -3.44000 -2.00400 1.000 C44 C -9.65400 -2.54000 -1.48100 1.000 C45 C -10.55900 -1.79000 -0.50100 1.000 C46 C -11.82800 -1.37800 -1.20300 1.000 O47 O -11.99100 -1.65600 -2.36700 1.000 O48 O -12.77500 -0.70300 -0.53400 1.000 O49 O -8.02000 -4.95200 -2.18300 1.000 H50 H 10.85900 -5.07000 -0.49800 1.000 H51 H 13.15700 -4.82500 -0.30600 1.000 H52 H 13.83200 -3.33300 0.07100 1.000 H53 H 9.11400 1.46500 0.89400 1.000 H54 H 5.96900 -0.37100 0.89900 1.000 H55 H 6.75700 1.20500 1.14700 1.000 H56 H 6.85900 0.58100 -1.60600 1.000 H57 H 5.31200 1.59800 -3.14800 1.000 H58 H 4.53700 1.31400 1.05300 1.000 H59 H 3.15700 2.72800 -3.47500 1.000 H60 H 2.37800 2.44300 0.73600 1.000 H61 H 0.80400 3.30000 0.36200 1.000 H62 H -1.18500 3.95200 -1.67400 1.000 H63 H -1.24400 4.08200 1.37300 1.000 H64 H -2.63600 4.43100 0.32000 1.000 H65 H -2.48700 2.14800 -0.63400 1.000 H66 H -1.09500 1.79800 0.41900 1.000 H67 H -1.41100 7.51900 -0.85400 1.000 H68 H -3.06700 0.03400 0.93500 1.000 H69 H -4.97900 1.15400 2.83700 1.000 H70 H -4.38000 -1.70900 1.96700 1.000 H71 H -5.68800 -1.24400 3.08100 1.000 H72 H -6.66800 0.20800 1.32600 1.000 H73 H -5.36000 -0.25700 0.21100 1.000 H74 H -3.57500 -0.49400 5.79800 1.000 H75 H -7.73400 -0.93300 -0.87100 1.000 H76 H -8.61500 -3.53500 0.12200 1.000 H77 H -9.41000 -1.88900 -2.32100 1.000 H78 H -10.17100 -3.42700 -1.84700 1.000 H79 H -10.80300 -2.44100 0.33800 1.000 H80 H -10.04200 -0.90300 -0.13500 1.000 H81 H -13.57200 -0.46100 -1.02600 1.000 H82 H -7.44700 -5.45800 -2.77400 1.000