# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '2MD' 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 -0.64100 0.96200 1.18100 1.000 O1 O 0.01200 0.20700 -0.08100 1.000 O2 O 0.28400 2.01300 1.66100 1.000 O3 O -2.03600 1.63500 0.74200 1.000 O4 O -0.90600 -0.09800 2.36300 1.000 C5 C -1.48300 0.62800 3.44900 1.000 C6 C -1.76100 -0.32700 4.61100 1.000 O7 O -0.54000 -0.92700 5.03400 1.000 C8 C -2.38000 0.45200 5.77500 1.000 S9 S -1.21000 1.70900 6.36000 1.000 C10 C -2.69300 -0.52600 6.91200 1.000 S11 S -3.24600 0.39500 8.37300 1.000 C12 C -1.42900 -1.31500 7.25400 1.000 N13 N -0.41100 -0.40800 7.80500 1.000 C14 C 0.92000 -0.87600 7.88500 1.000 C15 C 1.86300 -0.22000 8.68200 1.000 O16 O 1.55500 0.77200 9.32500 1.000 N17 N 3.12100 -0.71000 8.72900 1.000 C18 C 3.45200 -1.81300 8.00400 1.000 N19 N 4.73600 -2.29200 8.06400 1.000 N20 N 2.56900 -2.43500 7.25200 1.000 C21 C 1.30600 -2.00000 7.16800 1.000 N22 N 0.38600 -2.66400 6.37100 1.000 C23 C -0.85100 -1.96300 5.98800 1.000 P24 P 0.24900 1.32200 -1.21800 1.000 O25 O 1.16000 2.36800 -0.70100 1.000 O26 O -1.16000 1.98900 -1.61700 1.000 O27 O 0.90400 0.63300 -2.51700 1.000 C28 C 1.08900 1.66800 -3.48500 1.000 C29 C 1.71100 1.07700 -4.75100 1.000 O30 O 0.82700 0.09600 -5.31800 1.000 C31 C 0.97800 0.17100 -6.75200 1.000 N32 N -0.19300 -0.39400 -7.42500 1.000 C33 C -0.21200 -0.98200 -8.66000 1.000 N34 N 0.71900 -1.23500 -9.58700 1.000 C35 C 0.41000 -1.83700 -10.71400 1.000 N36 N 1.39800 -2.07200 -11.63700 1.000 N37 N -0.86300 -2.23600 -10.99200 1.000 C38 C -1.85600 -2.01800 -10.10200 1.000 O39 O -2.99800 -2.37100 -10.34200 1.000 C40 C -1.53700 -1.37200 -8.88500 1.000 N41 N -2.25500 -1.00200 -7.79600 1.000 C42 C -1.46700 -0.42700 -6.93600 1.000 C43 C 1.08600 1.69300 -7.02500 1.000 O44 O 1.78600 1.94400 -8.24500 1.000 C45 C 1.90800 2.18400 -5.80400 1.000 O46 O 3.28800 2.31500 -6.15100 1.000 H47 H -2.60800 0.91800 0.43700 1.000 H48 H -2.41700 1.08600 3.12400 1.000 H49 H -0.79100 1.40500 3.77500 1.000 H50 H -2.45400 -1.10300 4.28500 1.000 H51 H -3.30000 0.93400 5.44400 1.000 H52 H -1.07600 2.44200 5.24000 1.000 H53 H -3.47800 -1.21300 6.59600 1.000 H54 H -4.33600 1.00100 7.86800 1.000 H55 H -1.66700 -2.08800 7.98600 1.000 H56 H -0.64500 0.48300 8.10500 1.000 H57 H 3.79100 -0.27100 9.27600 1.000 H58 H 4.98400 -3.08000 7.55500 1.000 H59 H 5.39700 -1.84100 8.61100 1.000 H60 H 0.55700 -3.57000 6.06600 1.000 H61 H -1.56000 -2.66900 5.55600 1.000 H62 H -1.72300 1.27600 -1.94800 1.000 H63 H 0.12400 2.11400 -3.72800 1.000 H64 H 1.75000 2.43300 -3.07700 1.000 H65 H 2.67100 0.61800 -4.51300 1.000 H66 H 1.88600 -0.34000 -7.07000 1.000 H67 H 2.30900 -1.79400 -11.45300 1.000 H68 H 1.18600 -2.51500 -12.47300 1.000 H69 H -1.05700 -2.67800 -11.83300 1.000 H70 H -1.77400 -0.03400 -5.97800 1.000 H71 H 0.09900 2.15600 -7.04300 1.000 H72 H 1.81900 2.90400 -8.35600 1.000 H73 H 1.51600 3.13300 -5.43800 1.000 H74 H 3.33800 2.97700 -6.85400 1.000