# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9M3' 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 3.13800 4.24700 -0.33100 1.000 C1 C 4.04300 3.20300 -0.33600 1.000 C2 C 2.24500 1.63100 -0.06500 1.000 C3 C 1.78800 3.99600 -0.19400 1.000 O4 O 6.03300 2.06100 0.86100 1.000 C5 C 5.74900 1.01500 0.31100 1.000 C6 C 6.75400 -0.06500 0.21200 1.000 C7 C 8.03000 0.11400 0.75000 1.000 C8 C 8.96300 -0.89700 0.65500 1.000 C9 C 8.63800 -2.08700 0.02800 1.000 C10 C 9.66200 -3.18700 -0.07200 1.000 C11 C 9.05500 -4.38500 -0.80500 1.000 C12 C 10.88100 -2.68000 -0.84600 1.000 C13 C 10.09200 -3.61300 1.33300 1.000 C14 C 7.37500 -2.27000 -0.50700 1.000 C15 C 6.43000 -1.27000 -0.41400 1.000 N16 N 4.51800 0.83900 -0.21000 1.000 C17 C 3.59900 1.89300 -0.20400 1.000 C18 C 1.76000 0.21100 0.07300 1.000 C19 C 1.33300 2.68400 -0.06500 1.000 C20 C -0.11800 2.41100 0.08200 1.000 N21 N -0.83600 3.09600 0.96700 1.000 N22 N -0.70100 1.48600 -0.67500 1.000 C23 C -2.00100 1.24300 -0.54300 1.000 N24 N -2.71800 1.92400 0.34400 1.000 C25 C -2.13700 2.85200 1.09800 1.000 N26 N -2.88300 3.56200 2.01600 1.000 N27 N -2.60600 0.28100 -1.33000 1.000 C28 C -3.97500 0.04800 -1.21400 1.000 C29 C -4.60700 0.21900 0.01400 1.000 C30 C -5.95900 -0.01100 0.13100 1.000 C31 C -6.69700 -0.41700 -0.98400 1.000 C32 C -6.05900 -0.58800 -2.21600 1.000 C33 C -4.70800 -0.35100 -2.32800 1.000 C34 C -8.14600 -0.66500 -0.86200 1.000 O35 O -8.90200 -0.29800 -1.74000 1.000 N36 N -8.63200 -1.29800 0.22500 1.000 C37 C -10.05700 -1.65500 0.31900 1.000 C38 C -10.15900 -3.13600 0.70200 1.000 O39 O -9.36500 -3.37700 1.86700 1.000 C40 C -7.96900 -3.13300 1.68400 1.000 C41 C -7.75300 -1.65700 1.34900 1.000 H42 H 3.48900 5.26400 -0.43000 1.000 H43 H 5.09900 3.40600 -0.44400 1.000 H44 H 1.08400 4.81400 -0.18600 1.000 H45 H 8.28600 1.04200 1.24000 1.000 H46 H 9.95100 -0.76000 1.07100 1.000 H47 H 8.74900 -4.08100 -1.80600 1.000 H48 H 9.79600 -5.18100 -0.87700 1.000 H49 H 8.18600 -4.74600 -0.25400 1.000 H50 H 11.31400 -1.82700 -0.32400 1.000 H51 H 11.62200 -3.47600 -0.91900 1.000 H52 H 10.57500 -2.37600 -1.84700 1.000 H53 H 9.22400 -3.97400 1.88400 1.000 H54 H 10.83300 -4.40900 1.26100 1.000 H55 H 10.52500 -2.76000 1.85500 1.000 H56 H 7.12600 -3.20300 -0.99200 1.000 H57 H 5.44500 -1.41400 -0.83200 1.000 H58 H 4.27000 -0.01900 -0.58900 1.000 H59 H 1.47500 -0.17300 -0.90600 1.000 H60 H 2.55700 -0.40600 0.48800 1.000 H61 H 0.89600 0.18500 0.73800 1.000 H62 H -2.45900 4.23900 2.56600 1.000 H63 H -3.83200 3.38400 2.11200 1.000 H64 H -2.07900 -0.23100 -1.96200 1.000 H65 H -4.03600 0.53200 0.87500 1.000 H66 H -6.44900 0.12100 1.08500 1.000 H67 H -6.62600 -0.90100 -3.08000 1.000 H68 H -4.21400 -0.48200 -3.28000 1.000 H69 H -10.53900 -1.04400 1.08200 1.000 H70 H -10.54100 -1.49000 -0.64300 1.000 H71 H -11.19800 -3.38700 0.91200 1.000 H72 H -9.79500 -3.75100 -0.12100 1.000 H73 H -7.43300 -3.38100 2.60000 1.000 H74 H -7.59600 -3.74800 0.86500 1.000 H75 H -6.71200 -1.49200 1.07000 1.000 H76 H -8.00300 -1.04300 2.21400 1.000