# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9MQ' 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 -4.44200 1.66300 0.32600 1.000 C1 C -5.90300 1.34600 0.00000 1.000 C2 C -6.27000 -0.02400 0.58000 1.000 C3 C -6.80800 2.41500 0.61700 1.000 N4 N -7.70600 -0.25600 0.37300 1.000 C5 C -8.26700 2.11600 0.26500 1.000 C6 C -8.66100 0.75500 0.84700 1.000 C7 C -8.14800 -1.39800 -0.25300 1.000 N8 N -7.29000 -2.23000 -0.77300 1.000 N9 N -9.49500 -1.66100 -0.33200 1.000 N10 N 0.47500 1.43600 -1.15400 1.000 C11 C 0.12500 0.12600 -0.60000 1.000 C12 C 1.01500 -0.92900 -1.20400 1.000 O13 O 1.49800 -0.75800 -2.30300 1.000 C14 C -1.33600 -0.19100 -0.92500 1.000 C15 C -2.23300 0.79300 -0.21900 1.000 O16 O -1.75100 1.66200 0.47500 1.000 N17 N -3.57000 0.70600 -0.36000 1.000 S18 S 1.15900 2.59000 -0.18300 1.000 O19 O 1.35800 3.73500 -1.00000 1.000 O20 O 0.39200 2.61300 1.01400 1.000 C21 C 3.84200 2.39500 -0.47000 1.000 C22 C 2.76200 2.01300 0.26500 1.000 C23 C 2.90500 1.17200 1.36700 1.000 C24 C 4.13000 0.70800 1.73900 1.000 C25 C 6.54800 0.62100 1.35900 1.000 C26 C 7.62800 1.00300 0.62300 1.000 C27 C 7.48400 1.84500 -0.47800 1.000 C28 C 6.26000 2.30600 -0.85400 1.000 C29 C 5.12200 1.93600 -0.11600 1.000 C30 C 5.26800 1.08100 1.00500 1.000 N31 N 1.27400 -2.06300 -0.52300 1.000 C32 C 2.21100 -3.04800 -1.06900 1.000 C33 C 0.61900 -2.31100 0.76400 1.000 C34 C 3.58100 -2.81600 -0.48600 1.000 C35 C -0.67800 -3.04300 0.53500 1.000 C36 C 3.94500 -3.44100 0.69200 1.000 C37 C 4.47500 -1.98300 -1.13200 1.000 O38 O -1.45300 -3.37800 1.57800 1.000 O39 O -1.02000 -3.32900 -0.58800 1.000 C40 C 5.20200 -3.22800 1.22700 1.000 C41 C 5.73200 -1.77000 -0.59600 1.000 C42 C 6.09400 -2.39100 0.58400 1.000 H43 H -4.20700 2.67400 -0.00900 1.000 H44 H -4.28600 1.59000 1.40200 1.000 H45 H -6.04100 1.33200 -1.08100 1.000 H46 H -5.69800 -0.80100 0.07200 1.000 H47 H -6.04700 -0.04100 1.64700 1.000 H48 H -6.68800 2.41100 1.70100 1.000 H49 H -6.53300 3.39400 0.22500 1.000 H50 H -8.90900 2.89100 0.68500 1.000 H51 H -8.38300 2.09500 -0.81900 1.000 H52 H -9.66500 0.49300 0.51600 1.000 H53 H -8.63300 0.80200 1.93600 1.000 H54 H -7.60200 -3.03500 -1.21400 1.000 H55 H -10.13600 -1.01100 -0.00300 1.000 H56 H -9.80500 -2.49600 -0.71600 1.000 H57 H 0.30700 1.62700 -2.09000 1.000 H58 H 0.26200 0.14100 0.48200 1.000 H59 H -1.49200 -0.11900 -2.00100 1.000 H60 H -1.57100 -1.20200 -0.59100 1.000 H61 H -3.95600 0.01100 -0.91600 1.000 H62 H 3.71500 3.04400 -1.32400 1.000 H63 H 2.03200 0.88400 1.93300 1.000 H64 H 4.22600 0.05600 2.59600 1.000 H65 H 6.67400 -0.03200 2.21000 1.000 H66 H 8.61000 0.64900 0.89700 1.000 H67 H 8.35700 2.13400 -1.04400 1.000 H68 H 6.16400 2.95700 -1.70900 1.000 H69 H 1.87200 -4.05200 -0.81400 1.000 H70 H 2.25600 -2.94500 -2.15400 1.000 H71 H 1.27200 -2.91600 1.39300 1.000 H72 H 0.41700 -1.36000 1.25800 1.000 H73 H 3.24800 -4.09500 1.19500 1.000 H74 H 4.19200 -1.49900 -2.05500 1.000 H75 H -2.27500 -3.84700 1.38100 1.000 H76 H 5.48600 -3.71600 2.14800 1.000 H77 H 6.43100 -1.12000 -1.10100 1.000 H78 H 7.07600 -2.22400 1.00300 1.000