# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0BM' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy S0 S 3.39400 2.46000 0.48100 1.000 O1 O 2.15000 2.28100 1.14300 1.000 O2 O 3.68200 3.65800 -0.22600 1.000 C3 C 4.76900 2.02600 1.58200 1.000 N4 N 3.41000 1.28300 -0.68400 1.000 C5 C 3.12600 -0.10800 -0.32400 1.000 C6 C 1.66700 -0.40000 -0.55900 1.000 O7 O 1.01800 0.30800 -1.30100 1.000 C8 C 3.97800 -1.04200 -1.18600 1.000 C9 C 5.43500 -0.83500 -0.86200 1.000 C10 C 6.17100 0.10700 -1.55500 1.000 C11 C 6.03500 -1.58500 0.13300 1.000 C12 C 7.50800 0.29700 -1.25700 1.000 C13 C 7.37100 -1.39500 0.43100 1.000 C14 C 8.10800 -0.45600 -0.26600 1.000 N15 N 1.08100 -1.44600 0.05600 1.000 C16 C -0.32600 -1.84700 -0.08700 1.000 C17 C -1.22600 -0.73900 0.39900 1.000 O18 O -0.74600 0.29400 0.81300 1.000 C19 C -0.53400 -3.10900 0.77700 1.000 C20 C 0.90300 -3.67800 0.91200 1.000 C21 C 1.74800 -2.38300 0.97900 1.000 N22 N -2.56400 -0.89800 0.37300 1.000 C23 C -3.43900 0.17800 0.84500 1.000 C24 C -4.90000 -0.25500 0.70900 1.000 C25 C -5.24200 -0.43700 -0.77200 1.000 C26 C -6.69500 -0.90500 -0.90200 1.000 N27 N -7.56300 0.04700 -0.19500 1.000 C28 C -7.26700 0.36300 1.20900 1.000 C29 C -5.80800 0.81600 1.31600 1.000 C30 C -8.63100 0.63000 -0.83500 1.000 N31 N -9.50000 1.43000 -0.13200 1.000 N32 N -8.81900 0.42400 -2.10800 1.000 H33 H 4.59900 1.03400 2.00200 1.000 H34 H 5.70100 2.02500 1.01700 1.000 H35 H 4.83400 2.75600 2.38900 1.000 H36 H 3.60800 1.51600 -1.60500 1.000 H37 H 3.36400 -0.26700 0.72800 1.000 H38 H 3.70300 -2.07600 -0.98200 1.000 H39 H 3.80600 -0.82200 -2.24000 1.000 H40 H 5.70200 0.69600 -2.33000 1.000 H41 H 5.45800 -2.31800 0.67800 1.000 H42 H 8.08300 1.03300 -1.80000 1.000 H43 H 7.83900 -1.98100 1.20900 1.000 H44 H 9.15300 -0.30900 -0.03400 1.000 H45 H -0.54300 -2.07200 -1.13100 1.000 H46 H -0.93700 -2.84500 1.75500 1.000 H47 H -1.18500 -3.82100 0.26900 1.000 H48 H 1.00800 -4.26200 1.82600 1.000 H49 H 1.17200 -4.27100 0.03800 1.000 H50 H 2.76800 -2.57800 0.65000 1.000 H51 H 1.74500 -1.98400 1.99300 1.000 H52 H -2.94800 -1.72500 0.04100 1.000 H53 H -3.21900 0.39200 1.89000 1.000 H54 H -3.26800 1.07300 0.24700 1.000 H55 H -5.04900 -1.19900 1.23400 1.000 H56 H -5.11600 0.51100 -1.29400 1.000 H57 H -4.57800 -1.18400 -1.20900 1.000 H58 H -6.97400 -0.94100 -1.95600 1.000 H59 H -6.80100 -1.89500 -0.46000 1.000 H60 H -7.92400 1.16400 1.54900 1.000 H61 H -7.42100 -0.52400 1.82400 1.000 H62 H -5.54800 0.96200 2.36400 1.000 H63 H -5.67700 1.75300 0.77400 1.000 H64 H -9.32100 1.64100 0.79800 1.000 H65 H -10.29300 1.78300 -0.56500 1.000 H66 H -9.57300 0.83600 -2.56000 1.000