<?xml version="1.0" encoding="UTF-8" ?> <PDBx:datablock datablockName="OL9" xmlns:PDBx="http://pdbml.pdb.org/schema/pdbx-v50.xsd" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="http://pdbml.pdb.org/schema/pdbx-v50.xsd pdbx-v50.xsd"> <PDBx:chem_compCategory> <PDBx:chem_comp id="OL9"> <PDBx:formula>C21 H21 Cl F2 O4 S</PDBx:formula> <PDBx:formula_weight>442.904</PDBx:formula_weight> <PDBx:name>MK-0752</PDBx:name> <PDBx:pdbx_ambiguous_flag>N</PDBx:pdbx_ambiguous_flag> <PDBx:pdbx_formal_charge>0</PDBx:pdbx_formal_charge> <PDBx:pdbx_ideal_coordinates_details>Corina</PDBx:pdbx_ideal_coordinates_details> <PDBx:pdbx_ideal_coordinates_missing_flag>N</PDBx:pdbx_ideal_coordinates_missing_flag> <PDBx:pdbx_initial_date>2023-08-23</PDBx:pdbx_initial_date> <PDBx:pdbx_model_coordinates_db_code>8KCU</PDBx:pdbx_model_coordinates_db_code> <PDBx:pdbx_model_coordinates_missing_flag>N</PDBx:pdbx_model_coordinates_missing_flag> <PDBx:pdbx_modified_date>2024-11-11</PDBx:pdbx_modified_date> <PDBx:pdbx_processing_site>PDBC</PDBx:pdbx_processing_site> <PDBx:pdbx_release_status>REL</PDBx:pdbx_release_status> <PDBx:pdbx_type>HETAIN</PDBx:pdbx_type> <PDBx:three_letter_code>OL9</PDBx:three_letter_code> <PDBx:type>non-polymer</PDBx:type> </PDBx:chem_comp> </PDBx:chem_compCategory> <PDBx:chem_comp_atomCategory> <PDBx:chem_comp_atom atom_id="C10" comp_id="OL9"> <PDBx:alt_atom_id>C1</PDBx:alt_atom_id> <PDBx:charge>0</PDBx:charge> <PDBx:model_Cartn_x>164.274</PDBx:model_Cartn_x> <PDBx:model_Cartn_y>177.100</PDBx:model_Cartn_y> <PDBx:model_Cartn_z>143.974</PDBx:model_Cartn_z> <PDBx:pdbx_align>1</PDBx:pdbx_align> <PDBx:pdbx_aromatic_flag>N</PDBx:pdbx_aromatic_flag> <PDBx:pdbx_component_atom_id>C10</PDBx:pdbx_component_atom_id> <PDBx:pdbx_component_comp_id>OL9</PDBx:pdbx_component_comp_id> <PDBx:pdbx_leaving_atom_flag>N</PDBx:pdbx_leaving_atom_flag> <PDBx:pdbx_model_Cartn_x_ideal>2.987</PDBx:pdbx_model_Cartn_x_ideal> <PDBx:pdbx_model_Cartn_y_ideal>0.116</PDBx:pdbx_model_Cartn_y_ideal> <PDBx:pdbx_model_Cartn_z_ideal>0.700</PDBx:pdbx_model_Cartn_z_ideal> <PDBx:pdbx_ordinal>1</PDBx:pdbx_ordinal> <PDBx:pdbx_stereo_config>N</PDBx:pdbx_stereo_config> <PDBx:type_symbol>C</PDBx:type_symbol> </PDBx:chem_comp_atom> <PDBx:chem_comp_atom atom_id="C13" comp_id="OL9"> <PDBx:alt_atom_id>C2</PDBx:alt_atom_id> <PDBx:charge>0</PDBx:charge> <PDBx:model_Cartn_x>165.360</PDBx:model_Cartn_x> <PDBx:model_Cartn_y>176.568</PDBx:model_Cartn_y> <PDBx:model_Cartn_z>144.848</PDBx:model_Cartn_z> <PDBx:pdbx_align>1</PDBx:pdbx_align> <PDBx:pdbx_aromatic_flag>N</PDBx:pdbx_aromatic_flag> <PDBx:pdbx_component_atom_id>C13</PDBx:pdbx_component_atom_id> <PDBx:pdbx_component_comp_id>OL9</PDBx:pdbx_component_comp_id> <PDBx:pdbx_leaving_atom_flag>N</PDBx:pdbx_leaving_atom_flag> <PDBx:pdbx_model_Cartn_x_ideal>1.760</PDBx:pdbx_model_Cartn_x_ideal> <PDBx:pdbx_model_Cartn_y_ideal>-0.704</PDBx:pdbx_model_Cartn_y_ideal> <PDBx:pdbx_model_Cartn_z_ideal>1.103</PDBx:pdbx_model_Cartn_z_ideal> <PDBx:pdbx_ordinal>2</PDBx:pdbx_ordinal> <PDBx:pdbx_stereo_config>N</PDBx:pdbx_stereo_config> <PDBx:type_symbol>C</PDBx:type_symbol> </PDBx:chem_comp_atom> <PDBx:chem_comp_atom atom_id="C15" comp_id="OL9"> <PDBx:alt_atom_id>C3</PDBx:alt_atom_id> <PDBx:charge>0</PDBx:charge> <PDBx:model_Cartn_x>163.780</PDBx:model_Cartn_x> <PDBx:model_Cartn_y>173.709</PDBx:model_Cartn_y> <PDBx:model_Cartn_z>145.011</PDBx:model_Cartn_z> <PDBx:pdbx_align>1</PDBx:pdbx_align> <PDBx:pdbx_aromatic_flag>Y</PDBx:pdbx_aromatic_flag> <PDBx:pdbx_component_atom_id>C15</PDBx:pdbx_component_atom_id> <PDBx:pdbx_component_comp_id>OL9</PDBx:pdbx_component_comp_id> <PDBx:pdbx_leaving_atom_flag>N</PDBx:pdbx_leaving_atom_flag> <PDBx:pdbx_model_Cartn_x_ideal>-0.902</PDBx:pdbx_model_Cartn_x_ideal> <PDBx:pdbx_model_Cartn_y_ideal>1.893</PDBx:pdbx_model_Cartn_y_ideal> <PDBx:pdbx_model_Cartn_z_ideal>0.189</PDBx:pdbx_model_Cartn_z_ideal> <PDBx:pdbx_ordinal>3</PDBx:pdbx_ordinal> <PDBx:pdbx_stereo_config>N</PDBx:pdbx_stereo_config> <PDBx:type_symbol>C</PDBx:type_symbol> </PDBx:chem_comp_atom> <PDBx:chem_comp_atom atom_id="C17" comp_id="OL9"> <PDBx:alt_atom_id>C4</PDBx:alt_atom_id> <PDBx:charge>0</PDBx:charge> <PDBx:model_Cartn_x>166.762</PDBx:model_Cartn_x> <PDBx:model_Cartn_y>171.985</PDBx:model_Cartn_y> <PDBx:model_Cartn_z>144.177</PDBx:model_Cartn_z> <PDBx:pdbx_align>1</PDBx:pdbx_align> <PDBx:pdbx_aromatic_flag>Y</PDBx:pdbx_aromatic_flag> <PDBx:pdbx_component_atom_id>C17</PDBx:pdbx_component_atom_id> <PDBx:pdbx_component_comp_id>OL9</PDBx:pdbx_component_comp_id> <PDBx:pdbx_leaving_atom_flag>N</PDBx:pdbx_leaving_atom_flag> <PDBx:pdbx_model_Cartn_x_ideal>-1.439</PDBx:pdbx_model_Cartn_x_ideal> <PDBx:pdbx_model_Cartn_y_ideal>-1.178</PDBx:pdbx_model_Cartn_y_ideal> <PDBx:pdbx_model_Cartn_z_ideal>-0.660</PDBx:pdbx_model_Cartn_z_ideal> <PDBx:pdbx_ordinal>4</PDBx:pdbx_ordinal> <PDBx:pdbx_stereo_config>N</PDBx:pdbx_stereo_config> <PDBx:type_symbol>C</PDBx:type_symbol> </PDBx:chem_comp_atom> <PDBx:chem_comp_atom atom_id="C20" comp_id="OL9"> <PDBx:alt_atom_id>C5</PDBx:alt_atom_id> <PDBx:charge>0</PDBx:charge> <PDBx:model_Cartn_x>164.342</PDBx:model_Cartn_x> <PDBx:model_Cartn_y>173.597</PDBx:model_Cartn_y> <PDBx:model_Cartn_z>146.245</PDBx:model_Cartn_z> <PDBx:pdbx_align>1</PDBx:pdbx_align> <PDBx:pdbx_aromatic_flag>Y</PDBx:pdbx_aromatic_flag> <PDBx:pdbx_component_atom_id>C20</PDBx:pdbx_component_atom_id> <PDBx:pdbx_component_comp_id>OL9</PDBx:pdbx_component_comp_id> <PDBx:pdbx_leaving_atom_flag>N</PDBx:pdbx_leaving_atom_flag> <PDBx:pdbx_model_Cartn_x_ideal>-1.993</PDBx:pdbx_model_Cartn_x_ideal> <PDBx:pdbx_model_Cartn_y_ideal>1.807</PDBx:pdbx_model_Cartn_y_ideal> <PDBx:pdbx_model_Cartn_z_ideal>-0.654</PDBx:pdbx_model_Cartn_z_ideal> <PDBx:pdbx_ordinal>5</PDBx:pdbx_ordinal> <PDBx:pdbx_stereo_config>N</PDBx:pdbx_stereo_config> <PDBx:type_symbol>C</PDBx:type_symbol> </PDBx:chem_comp_atom> <PDBx:chem_comp_atom atom_id="C21" comp_id="OL9"> <PDBx:alt_atom_id>C6</PDBx:alt_atom_id> <PDBx:charge>0</PDBx:charge> <PDBx:model_Cartn_x>167.916</PDBx:model_Cartn_x> <PDBx:model_Cartn_y>172.294</PDBx:model_Cartn_y> <PDBx:model_Cartn_z>144.840</PDBx:model_Cartn_z> <PDBx:pdbx_align>1</PDBx:pdbx_align> <PDBx:pdbx_aromatic_flag>Y</PDBx:pdbx_aromatic_flag> <PDBx:pdbx_component_atom_id>C21</PDBx:pdbx_component_atom_id> <PDBx:pdbx_component_comp_id>OL9</PDBx:pdbx_component_comp_id> <PDBx:pdbx_leaving_atom_flag>N</PDBx:pdbx_leaving_atom_flag> <PDBx:pdbx_model_Cartn_x_ideal>-1.188</PDBx:pdbx_model_Cartn_x_ideal> <PDBx:pdbx_model_Cartn_y_ideal>-2.187</PDBx:pdbx_model_Cartn_y_ideal> <PDBx:pdbx_model_Cartn_z_ideal>0.252</PDBx:pdbx_model_Cartn_z_ideal> <PDBx:pdbx_ordinal>6</PDBx:pdbx_ordinal> <PDBx:pdbx_stereo_config>N</PDBx:pdbx_stereo_config> <PDBx:type_symbol>C</PDBx:type_symbol> </PDBx:chem_comp_atom> <PDBx:chem_comp_atom atom_id="C22" comp_id="OL9"> <PDBx:alt_atom_id>C7</PDBx:alt_atom_id> <PDBx:charge>0</PDBx:charge> <PDBx:model_Cartn_x>166.213</PDBx:model_Cartn_x> <PDBx:model_Cartn_y>170.788</PDBx:model_Cartn_y> <PDBx:model_Cartn_z>144.400</PDBx:model_Cartn_z> <PDBx:pdbx_align>1</PDBx:pdbx_align> <PDBx:pdbx_aromatic_flag>Y</PDBx:pdbx_aromatic_flag> <PDBx:pdbx_component_atom_id>C22</PDBx:pdbx_component_atom_id> <PDBx:pdbx_component_comp_id>OL9</PDBx:pdbx_component_comp_id> <PDBx:pdbx_leaving_atom_flag>N</PDBx:pdbx_leaving_atom_flag> <PDBx:pdbx_model_Cartn_x_ideal>-2.736</PDBx:pdbx_model_Cartn_x_ideal> <PDBx:pdbx_model_Cartn_y_ideal>-0.910</PDBx:pdbx_model_Cartn_y_ideal> <PDBx:pdbx_model_Cartn_z_ideal>-1.055</PDBx:pdbx_model_Cartn_z_ideal> <PDBx:pdbx_ordinal>7</PDBx:pdbx_ordinal> <PDBx:pdbx_stereo_config>N</PDBx:pdbx_stereo_config> <PDBx:type_symbol>C</PDBx:type_symbol> </PDBx:chem_comp_atom> <PDBx:chem_comp_atom atom_id="C24" comp_id="OL9"> <PDBx:alt_atom_id>C8</PDBx:alt_atom_id> <PDBx:charge>0</PDBx:charge> <PDBx:model_Cartn_x>161.752</PDBx:model_Cartn_x> <PDBx:model_Cartn_y>172.826</PDBx:model_Cartn_y> <PDBx:model_Cartn_z>145.964</PDBx:model_Cartn_z> <PDBx:pdbx_align>1</PDBx:pdbx_align> <PDBx:pdbx_aromatic_flag>Y</PDBx:pdbx_aromatic_flag> <PDBx:pdbx_component_atom_id>C24</PDBx:pdbx_component_atom_id> <PDBx:pdbx_component_comp_id>OL9</PDBx:pdbx_component_comp_id> <PDBx:pdbx_leaving_atom_flag>N</PDBx:pdbx_leaving_atom_flag> <PDBx:pdbx_model_Cartn_x_ideal>-1.967</PDBx:pdbx_model_Cartn_x_ideal> <PDBx:pdbx_model_Cartn_y_ideal>3.677</PDBx:pdbx_model_Cartn_y_ideal> <PDBx:pdbx_model_Cartn_z_ideal>1.386</PDBx:pdbx_model_Cartn_z_ideal> <PDBx:pdbx_ordinal>8</PDBx:pdbx_ordinal> <PDBx:pdbx_stereo_config>N</PDBx:pdbx_stereo_config> <PDBx:type_symbol>C</PDBx:type_symbol> </PDBx:chem_comp_atom> <PDBx:chem_comp_atom atom_id="C26" comp_id="OL9"> <PDBx:alt_atom_id>C9</PDBx:alt_atom_id> <PDBx:charge>0</PDBx:charge> <PDBx:model_Cartn_x>162.352</PDBx:model_Cartn_x> <PDBx:model_Cartn_y>172.710</PDBx:model_Cartn_y> <PDBx:model_Cartn_z>147.171</PDBx:model_Cartn_z> <PDBx:pdbx_align>1</PDBx:pdbx_align> <PDBx:pdbx_aromatic_flag>Y</PDBx:pdbx_aromatic_flag> <PDBx:pdbx_component_atom_id>C26</PDBx:pdbx_component_atom_id> <PDBx:pdbx_component_comp_id>OL9</PDBx:pdbx_component_comp_id> <PDBx:pdbx_leaving_atom_flag>N</PDBx:pdbx_leaving_atom_flag> <PDBx:pdbx_model_Cartn_x_ideal>-3.063</PDBx:pdbx_model_Cartn_x_ideal> <PDBx:pdbx_model_Cartn_y_ideal>3.584</PDBx:pdbx_model_Cartn_y_ideal> <PDBx:pdbx_model_Cartn_z_ideal>0.549</PDBx:pdbx_model_Cartn_z_ideal> <PDBx:pdbx_ordinal>9</PDBx:pdbx_ordinal> <PDBx:pdbx_stereo_config>N</PDBx:pdbx_stereo_config> <PDBx:type_symbol>C</PDBx:type_symbol> </PDBx:chem_comp_atom> <PDBx:chem_comp_atom atom_id="C28" comp_id="OL9"> <PDBx:alt_atom_id>C10</PDBx:alt_atom_id> <PDBx:charge>0</PDBx:charge> <PDBx:model_Cartn_x>166.755</PDBx:model_Cartn_x> <PDBx:model_Cartn_y>169.914</PDBx:model_Cartn_y> <PDBx:model_Cartn_z>145.266</PDBx:model_Cartn_z> <PDBx:pdbx_align>1</PDBx:pdbx_align> <PDBx:pdbx_aromatic_flag>Y</PDBx:pdbx_aromatic_flag> <PDBx:pdbx_component_atom_id>C28</PDBx:pdbx_component_atom_id> <PDBx:pdbx_component_comp_id>OL9</PDBx:pdbx_component_comp_id> <PDBx:pdbx_leaving_atom_flag>N</PDBx:pdbx_leaving_atom_flag> <PDBx:pdbx_model_Cartn_x_ideal>-3.783</PDBx:pdbx_model_Cartn_x_ideal> <PDBx:pdbx_model_Cartn_y_ideal>-1.651</PDBx:pdbx_model_Cartn_y_ideal> <PDBx:pdbx_model_Cartn_z_ideal>-0.540</PDBx:pdbx_model_Cartn_z_ideal> <PDBx:pdbx_ordinal>10</PDBx:pdbx_ordinal> <PDBx:pdbx_stereo_config>N</PDBx:pdbx_stereo_config> <PDBx:type_symbol>C</PDBx:type_symbol> </PDBx:chem_comp_atom> <PDBx:chem_comp_atom atom_id="C09" comp_id="OL9"> <PDBx:alt_atom_id>C11</PDBx:alt_atom_id> <PDBx:charge>0</PDBx:charge> <PDBx:model_Cartn_x>164.736</PDBx:model_Cartn_x> <PDBx:model_Cartn_y>174.253</PDBx:model_Cartn_y> <PDBx:model_Cartn_z>143.903</PDBx:model_Cartn_z> <PDBx:pdbx_align>1</PDBx:pdbx_align> <PDBx:pdbx_aromatic_flag>N</PDBx:pdbx_aromatic_flag> <PDBx:pdbx_component_atom_id>C09</PDBx:pdbx_component_atom_id> <PDBx:pdbx_component_comp_id>OL9</PDBx:pdbx_component_comp_id> <PDBx:pdbx_leaving_atom_flag>N</PDBx:pdbx_leaving_atom_flag> <PDBx:pdbx_model_Cartn_x_ideal>0.275</PDBx:pdbx_model_Cartn_x_ideal> <PDBx:pdbx_model_Cartn_y_ideal>0.972</PDBx:pdbx_model_Cartn_y_ideal> <PDBx:pdbx_model_Cartn_z_ideal>-0.006</PDBx:pdbx_model_Cartn_z_ideal> <PDBx:pdbx_ordinal>11</PDBx:pdbx_ordinal> <PDBx:pdbx_stereo_config>N</PDBx:pdbx_stereo_config> <PDBx:type_symbol>C</PDBx:type_symbol> </PDBx:chem_comp_atom> <PDBx:chem_comp_atom atom_id="C11" comp_id="OL9"> <PDBx:alt_atom_id>C12</PDBx:alt_atom_id> <PDBx:charge>0</PDBx:charge> <PDBx:model_Cartn_x>165.801</PDBx:model_Cartn_x> <PDBx:model_Cartn_y>175.205</PDBx:model_Cartn_y> <PDBx:model_Cartn_z>144.466</PDBx:model_Cartn_z> <PDBx:pdbx_align>1</PDBx:pdbx_align> <PDBx:pdbx_aromatic_flag>N</PDBx:pdbx_aromatic_flag> <PDBx:pdbx_component_atom_id>C11</PDBx:pdbx_component_atom_id> <PDBx:pdbx_component_comp_id>OL9</PDBx:pdbx_component_comp_id> <PDBx:pdbx_leaving_atom_flag>N</PDBx:pdbx_leaving_atom_flag> <PDBx:pdbx_model_Cartn_x_ideal>0.565</PDBx:pdbx_model_Cartn_x_ideal> <PDBx:pdbx_model_Cartn_y_ideal>0.231</PDBx:pdbx_model_Cartn_y_ideal> <PDBx:pdbx_model_Cartn_z_ideal>1.301</PDBx:pdbx_model_Cartn_z_ideal> <PDBx:pdbx_ordinal>12</PDBx:pdbx_ordinal> <PDBx:pdbx_stereo_config>N</PDBx:pdbx_stereo_config> <PDBx:type_symbol>C</PDBx:type_symbol> </PDBx:chem_comp_atom> <PDBx:chem_comp_atom atom_id="C12" comp_id="OL9"> <PDBx:alt_atom_id>C13</PDBx:alt_atom_id> <PDBx:charge>0</PDBx:charge> <PDBx:model_Cartn_x>163.963</PDBx:model_Cartn_x> <PDBx:model_Cartn_y>174.967</PDBx:model_Cartn_y> <PDBx:model_Cartn_z>142.818</PDBx:model_Cartn_z> <PDBx:pdbx_align>1</PDBx:pdbx_align> <PDBx:pdbx_aromatic_flag>N</PDBx:pdbx_aromatic_flag> <PDBx:pdbx_component_atom_id>C12</PDBx:pdbx_component_atom_id> <PDBx:pdbx_component_comp_id>OL9</PDBx:pdbx_component_comp_id> <PDBx:pdbx_leaving_atom_flag>N</PDBx:pdbx_leaving_atom_flag> <PDBx:pdbx_model_Cartn_x_ideal>1.503</PDBx:pdbx_model_Cartn_x_ideal> <PDBx:pdbx_model_Cartn_y_ideal>1.792</PDBx:pdbx_model_Cartn_y_ideal> <PDBx:pdbx_model_Cartn_z_ideal>-0.409</PDBx:pdbx_model_Cartn_z_ideal> <PDBx:pdbx_ordinal>13</PDBx:pdbx_ordinal> <PDBx:pdbx_stereo_config>N</PDBx:pdbx_stereo_config> <PDBx:type_symbol>C</PDBx:type_symbol> </PDBx:chem_comp_atom> <PDBx:chem_comp_atom atom_id="C14" comp_id="OL9"> <PDBx:alt_atom_id>C14</PDBx:alt_atom_id> <PDBx:charge>0</PDBx:charge> <PDBx:model_Cartn_x>163.259</PDBx:model_Cartn_x> <PDBx:model_Cartn_y>176.118</PDBx:model_Cartn_y> <PDBx:model_Cartn_z>143.465</PDBx:model_Cartn_z> <PDBx:pdbx_align>1</PDBx:pdbx_align> <PDBx:pdbx_aromatic_flag>N</PDBx:pdbx_aromatic_flag> <PDBx:pdbx_component_atom_id>C14</PDBx:pdbx_component_atom_id> <PDBx:pdbx_component_comp_id>OL9</PDBx:pdbx_component_comp_id> <PDBx:pdbx_leaving_atom_flag>N</PDBx:pdbx_leaving_atom_flag> <PDBx:pdbx_model_Cartn_x_ideal>2.698</PDBx:pdbx_model_Cartn_x_ideal> <PDBx:pdbx_model_Cartn_y_ideal>0.858</PDBx:pdbx_model_Cartn_y_ideal> <PDBx:pdbx_model_Cartn_z_ideal>-0.607</PDBx:pdbx_model_Cartn_z_ideal> <PDBx:pdbx_ordinal>14</PDBx:pdbx_ordinal> <PDBx:pdbx_stereo_config>N</PDBx:pdbx_stereo_config> <PDBx:type_symbol>C</PDBx:type_symbol> </PDBx:chem_comp_atom> <PDBx:chem_comp_atom atom_id="C16" comp_id="OL9"> <PDBx:alt_atom_id>C15</PDBx:alt_atom_id> <PDBx:charge>0</PDBx:charge> <PDBx:model_Cartn_x>164.883</PDBx:model_Cartn_x> <PDBx:model_Cartn_y>177.622</PDBx:model_Cartn_y> <PDBx:model_Cartn_z>142.735</PDBx:model_Cartn_z> <PDBx:pdbx_align>1</PDBx:pdbx_align> <PDBx:pdbx_aromatic_flag>N</PDBx:pdbx_aromatic_flag> <PDBx:pdbx_component_atom_id>C16</PDBx:pdbx_component_atom_id> <PDBx:pdbx_component_comp_id>OL9</PDBx:pdbx_component_comp_id> <PDBx:pdbx_leaving_atom_flag>N</PDBx:pdbx_leaving_atom_flag> <PDBx:pdbx_model_Cartn_x_ideal>4.182</PDBx:pdbx_model_Cartn_x_ideal> <PDBx:pdbx_model_Cartn_y_ideal>-0.818</PDBx:pdbx_model_Cartn_y_ideal> <PDBx:pdbx_model_Cartn_z_ideal>0.502</PDBx:pdbx_model_Cartn_z_ideal> <PDBx:pdbx_ordinal>15</PDBx:pdbx_ordinal> <PDBx:pdbx_stereo_config>N</PDBx:pdbx_stereo_config> <PDBx:type_symbol>C</PDBx:type_symbol> </PDBx:chem_comp_atom> <PDBx:chem_comp_atom atom_id="C18" comp_id="OL9"> <PDBx:alt_atom_id>C16</PDBx:alt_atom_id> <PDBx:charge>0</PDBx:charge> <PDBx:model_Cartn_x>163.902</PDBx:model_Cartn_x> <PDBx:model_Cartn_y>178.405</PDBx:model_Cartn_y> <PDBx:model_Cartn_z>141.920</PDBx:model_Cartn_z> <PDBx:pdbx_align>1</PDBx:pdbx_align> <PDBx:pdbx_aromatic_flag>N</PDBx:pdbx_aromatic_flag> <PDBx:pdbx_component_atom_id>C18</PDBx:pdbx_component_atom_id> <PDBx:pdbx_component_comp_id>OL9</PDBx:pdbx_component_comp_id> <PDBx:pdbx_leaving_atom_flag>N</PDBx:pdbx_leaving_atom_flag> <PDBx:pdbx_model_Cartn_x_ideal>5.437</PDBx:pdbx_model_Cartn_x_ideal> <PDBx:pdbx_model_Cartn_y_ideal>0.011</PDBx:pdbx_model_Cartn_y_ideal> <PDBx:pdbx_model_Cartn_z_ideal>0.221</PDBx:pdbx_model_Cartn_z_ideal> <PDBx:pdbx_ordinal>16</PDBx:pdbx_ordinal> <PDBx:pdbx_stereo_config>N</PDBx:pdbx_stereo_config> <PDBx:type_symbol>C</PDBx:type_symbol> </PDBx:chem_comp_atom> <PDBx:chem_comp_atom atom_id="C19" comp_id="OL9"> <PDBx:alt_atom_id>C17</PDBx:alt_atom_id> <PDBx:charge>0</PDBx:charge> <PDBx:model_Cartn_x>162.436</PDBx:model_Cartn_x> <PDBx:model_Cartn_y>173.299</PDBx:model_Cartn_y> <PDBx:model_Cartn_z>144.903</PDBx:model_Cartn_z> <PDBx:pdbx_align>1</PDBx:pdbx_align> <PDBx:pdbx_aromatic_flag>Y</PDBx:pdbx_aromatic_flag> <PDBx:pdbx_component_atom_id>C19</PDBx:pdbx_component_atom_id> <PDBx:pdbx_component_comp_id>OL9</PDBx:pdbx_component_comp_id> <PDBx:pdbx_leaving_atom_flag>N</PDBx:pdbx_leaving_atom_flag> <PDBx:pdbx_model_Cartn_x_ideal>-0.888</PDBx:pdbx_model_Cartn_x_ideal> <PDBx:pdbx_model_Cartn_y_ideal>2.828</PDBx:pdbx_model_Cartn_y_ideal> <PDBx:pdbx_model_Cartn_z_ideal>1.210</PDBx:pdbx_model_Cartn_z_ideal> <PDBx:pdbx_ordinal>17</PDBx:pdbx_ordinal> <PDBx:pdbx_stereo_config>N</PDBx:pdbx_stereo_config> <PDBx:type_symbol>C</PDBx:type_symbol> </PDBx:chem_comp_atom> <PDBx:chem_comp_atom atom_id="C23" comp_id="OL9"> <PDBx:alt_atom_id>C18</PDBx:alt_atom_id> <PDBx:charge>0</PDBx:charge> <PDBx:model_Cartn_x>163.635</PDBx:model_Cartn_x> <PDBx:model_Cartn_y>173.116</PDBx:model_Cartn_y> <PDBx:model_Cartn_z>147.294</PDBx:model_Cartn_z> <PDBx:pdbx_align>1</PDBx:pdbx_align> <PDBx:pdbx_aromatic_flag>Y</PDBx:pdbx_aromatic_flag> <PDBx:pdbx_component_atom_id>C23</PDBx:pdbx_component_atom_id> <PDBx:pdbx_component_comp_id>OL9</PDBx:pdbx_component_comp_id> <PDBx:pdbx_leaving_atom_flag>N</PDBx:pdbx_leaving_atom_flag> <PDBx:pdbx_model_Cartn_x_ideal>-3.075</PDBx:pdbx_model_Cartn_x_ideal> <PDBx:pdbx_model_Cartn_y_ideal>2.653</PDBx:pdbx_model_Cartn_y_ideal> <PDBx:pdbx_model_Cartn_z_ideal>-0.475</PDBx:pdbx_model_Cartn_z_ideal> <PDBx:pdbx_ordinal>18</PDBx:pdbx_ordinal> <PDBx:pdbx_stereo_config>N</PDBx:pdbx_stereo_config> <PDBx:type_symbol>C</PDBx:type_symbol> </PDBx:chem_comp_atom> <PDBx:chem_comp_atom atom_id="C25" comp_id="OL9"> <PDBx:alt_atom_id>C19</PDBx:alt_atom_id> <PDBx:charge>0</PDBx:charge> <PDBx:model_Cartn_x>164.926</PDBx:model_Cartn_x> <PDBx:model_Cartn_y>179.068</PDBx:model_Cartn_y> <PDBx:model_Cartn_z>141.092</PDBx:model_Cartn_z> <PDBx:pdbx_align>1</PDBx:pdbx_align> <PDBx:pdbx_aromatic_flag>N</PDBx:pdbx_aromatic_flag> <PDBx:pdbx_component_atom_id>C25</PDBx:pdbx_component_atom_id> <PDBx:pdbx_component_comp_id>OL9</PDBx:pdbx_component_comp_id> <PDBx:pdbx_leaving_atom_flag>N</PDBx:pdbx_leaving_atom_flag> <PDBx:pdbx_model_Cartn_x_ideal>6.614</PDBx:pdbx_model_Cartn_x_ideal> <PDBx:pdbx_model_Cartn_y_ideal>-0.909</PDBx:pdbx_model_Cartn_y_ideal> <PDBx:pdbx_model_Cartn_z_ideal>0.026</PDBx:pdbx_model_Cartn_z_ideal> <PDBx:pdbx_ordinal>19</PDBx:pdbx_ordinal> <PDBx:pdbx_stereo_config>N</PDBx:pdbx_stereo_config> <PDBx:type_symbol>C</PDBx:type_symbol> </PDBx:chem_comp_atom> <PDBx:chem_comp_atom atom_id="C27" comp_id="OL9"> <PDBx:alt_atom_id>C20</PDBx:alt_atom_id> <PDBx:charge>0</PDBx:charge> <PDBx:model_Cartn_x>168.492</PDBx:model_Cartn_x> <PDBx:model_Cartn_y>171.424</PDBx:model_Cartn_y> <PDBx:model_Cartn_z>145.709</PDBx:model_Cartn_z> <PDBx:pdbx_align>1</PDBx:pdbx_align> <PDBx:pdbx_aromatic_flag>Y</PDBx:pdbx_aromatic_flag> <PDBx:pdbx_component_atom_id>C27</PDBx:pdbx_component_atom_id> <PDBx:pdbx_component_comp_id>OL9</PDBx:pdbx_component_comp_id> <PDBx:pdbx_leaving_atom_flag>N</PDBx:pdbx_leaving_atom_flag> <PDBx:pdbx_model_Cartn_x_ideal>-2.234</PDBx:pdbx_model_Cartn_x_ideal> <PDBx:pdbx_model_Cartn_y_ideal>-2.929</PDBx:pdbx_model_Cartn_y_ideal> <PDBx:pdbx_model_Cartn_z_ideal>0.767</PDBx:pdbx_model_Cartn_z_ideal> <PDBx:pdbx_ordinal>20</PDBx:pdbx_ordinal> <PDBx:pdbx_stereo_config>N</PDBx:pdbx_stereo_config> <PDBx:type_symbol>C</PDBx:type_symbol> </PDBx:chem_comp_atom> <PDBx:chem_comp_atom atom_id="C29" comp_id="OL9"> <PDBx:alt_atom_id>C21</PDBx:alt_atom_id> <PDBx:charge>0</PDBx:charge> <PDBx:model_Cartn_x>167.897</PDBx:model_Cartn_x> <PDBx:model_Cartn_y>170.207</PDBx:model_Cartn_y> <PDBx:model_Cartn_z>145.929</PDBx:model_Cartn_z> <PDBx:pdbx_align>1</PDBx:pdbx_align> <PDBx:pdbx_aromatic_flag>Y</PDBx:pdbx_aromatic_flag> <PDBx:pdbx_component_atom_id>C29</PDBx:pdbx_component_atom_id> <PDBx:pdbx_component_comp_id>OL9</PDBx:pdbx_component_comp_id> <PDBx:pdbx_leaving_atom_flag>N</PDBx:pdbx_leaving_atom_flag> <PDBx:pdbx_model_Cartn_x_ideal>-3.532</PDBx:pdbx_model_Cartn_x_ideal> <PDBx:pdbx_model_Cartn_y_ideal>-2.661</PDBx:pdbx_model_Cartn_y_ideal> <PDBx:pdbx_model_Cartn_z_ideal>0.372</PDBx:pdbx_model_Cartn_z_ideal> <PDBx:pdbx_ordinal>21</PDBx:pdbx_ordinal> <PDBx:pdbx_stereo_config>N</PDBx:pdbx_stereo_config> <PDBx:type_symbol>C</PDBx:type_symbol> </PDBx:chem_comp_atom> <PDBx:chem_comp_atom atom_id="F03" comp_id="OL9"> <PDBx:alt_atom_id>F1</PDBx:alt_atom_id> <PDBx:charge>0</PDBx:charge> <PDBx:model_Cartn_x>161.633</PDBx:model_Cartn_x> <PDBx:model_Cartn_y>173.311</PDBx:model_Cartn_y> <PDBx:model_Cartn_z>143.815</PDBx:model_Cartn_z> <PDBx:pdbx_align>1</PDBx:pdbx_align> <PDBx:pdbx_aromatic_flag>N</PDBx:pdbx_aromatic_flag> <PDBx:pdbx_component_atom_id>F03</PDBx:pdbx_component_atom_id> <PDBx:pdbx_component_comp_id>OL9</PDBx:pdbx_component_comp_id> <PDBx:pdbx_leaving_atom_flag>N</PDBx:pdbx_leaving_atom_flag> <PDBx:pdbx_model_Cartn_x_ideal>0.179</PDBx:pdbx_model_Cartn_x_ideal> <PDBx:pdbx_model_Cartn_y_ideal>2.911</PDBx:pdbx_model_Cartn_y_ideal> <PDBx:pdbx_model_Cartn_z_ideal>2.035</PDBx:pdbx_model_Cartn_z_ideal> <PDBx:pdbx_ordinal>22</PDBx:pdbx_ordinal> <PDBx:pdbx_stereo_config>N</PDBx:pdbx_stereo_config> <PDBx:type_symbol>F</PDBx:type_symbol> </PDBx:chem_comp_atom> <PDBx:chem_comp_atom atom_id="F04" comp_id="OL9"> <PDBx:alt_atom_id>F2</PDBx:alt_atom_id> <PDBx:charge>0</PDBx:charge> <PDBx:model_Cartn_x>164.242</PDBx:model_Cartn_x> <PDBx:model_Cartn_y>173.034</PDBx:model_Cartn_y> <PDBx:model_Cartn_z>148.488</PDBx:model_Cartn_z> <PDBx:pdbx_align>1</PDBx:pdbx_align> <PDBx:pdbx_aromatic_flag>N</PDBx:pdbx_aromatic_flag> <PDBx:pdbx_component_atom_id>F04</PDBx:pdbx_component_atom_id> <PDBx:pdbx_component_comp_id>OL9</PDBx:pdbx_component_comp_id> <PDBx:pdbx_leaving_atom_flag>N</PDBx:pdbx_leaving_atom_flag> <PDBx:pdbx_model_Cartn_x_ideal>-4.141</PDBx:pdbx_model_Cartn_x_ideal> <PDBx:pdbx_model_Cartn_y_ideal>2.569</PDBx:pdbx_model_Cartn_y_ideal> <PDBx:pdbx_model_Cartn_z_ideal>-1.300</PDBx:pdbx_model_Cartn_z_ideal> <PDBx:pdbx_ordinal>23</PDBx:pdbx_ordinal> <PDBx:pdbx_stereo_config>N</PDBx:pdbx_stereo_config> <PDBx:type_symbol>F</PDBx:type_symbol> </PDBx:chem_comp_atom> <PDBx:chem_comp_atom atom_id="O05" comp_id="OL9"> <PDBx:alt_atom_id>O1</PDBx:alt_atom_id> <PDBx:charge>0</PDBx:charge> <PDBx:model_Cartn_x>164.940</PDBx:model_Cartn_x> <PDBx:model_Cartn_y>172.144</PDBx:model_Cartn_y> <PDBx:model_Cartn_z>142.333</PDBx:model_Cartn_z> <PDBx:pdbx_align>1</PDBx:pdbx_align> <PDBx:pdbx_aromatic_flag>N</PDBx:pdbx_aromatic_flag> <PDBx:pdbx_component_atom_id>O05</PDBx:pdbx_component_atom_id> <PDBx:pdbx_component_comp_id>OL9</PDBx:pdbx_component_comp_id> <PDBx:pdbx_leaving_atom_flag>N</PDBx:pdbx_leaving_atom_flag> <PDBx:pdbx_model_Cartn_x_ideal>0.955</PDBx:pdbx_model_Cartn_x_ideal> <PDBx:pdbx_model_Cartn_y_ideal>-1.164</PDBx:pdbx_model_Cartn_y_ideal> <PDBx:pdbx_model_Cartn_z_ideal>-1.453</PDBx:pdbx_model_Cartn_z_ideal> <PDBx:pdbx_ordinal>24</PDBx:pdbx_ordinal> <PDBx:pdbx_stereo_config>N</PDBx:pdbx_stereo_config> <PDBx:type_symbol>O</PDBx:type_symbol> </PDBx:chem_comp_atom> <PDBx:chem_comp_atom atom_id="O06" comp_id="OL9"> <PDBx:alt_atom_id>O2</PDBx:alt_atom_id> <PDBx:charge>0</PDBx:charge> <PDBx:model_Cartn_x>166.603</PDBx:model_Cartn_x> <PDBx:model_Cartn_y>173.678</PDBx:model_Cartn_y> <PDBx:model_Cartn_z>142.002</PDBx:model_Cartn_z> <PDBx:pdbx_align>1</PDBx:pdbx_align> <PDBx:pdbx_aromatic_flag>N</PDBx:pdbx_aromatic_flag> <PDBx:pdbx_component_atom_id>O06</PDBx:pdbx_component_atom_id> <PDBx:pdbx_component_comp_id>OL9</PDBx:pdbx_component_comp_id> <PDBx:pdbx_leaving_atom_flag>N</PDBx:pdbx_leaving_atom_flag> <PDBx:pdbx_model_Cartn_x_ideal>-0.662</PDBx:pdbx_model_Cartn_x_ideal> <PDBx:pdbx_model_Cartn_y_ideal>0.426</PDBx:pdbx_model_Cartn_y_ideal> <PDBx:pdbx_model_Cartn_z_ideal>-2.443</PDBx:pdbx_model_Cartn_z_ideal> <PDBx:pdbx_ordinal>25</PDBx:pdbx_ordinal> <PDBx:pdbx_stereo_config>N</PDBx:pdbx_stereo_config> <PDBx:type_symbol>O</PDBx:type_symbol> </PDBx:chem_comp_atom> <PDBx:chem_comp_atom atom_id="O07" comp_id="OL9"> <PDBx:alt_atom_id>O3</PDBx:alt_atom_id> <PDBx:charge>0</PDBx:charge> <PDBx:model_Cartn_x>165.086</PDBx:model_Cartn_x> <PDBx:model_Cartn_y>178.752</PDBx:model_Cartn_y> <PDBx:model_Cartn_z>139.895</PDBx:model_Cartn_z> <PDBx:pdbx_align>1</PDBx:pdbx_align> <PDBx:pdbx_aromatic_flag>N</PDBx:pdbx_aromatic_flag> <PDBx:pdbx_component_atom_id>O07</PDBx:pdbx_component_atom_id> <PDBx:pdbx_component_comp_id>OL9</PDBx:pdbx_component_comp_id> <PDBx:pdbx_leaving_atom_flag>N</PDBx:pdbx_leaving_atom_flag> <PDBx:pdbx_model_Cartn_x_ideal>6.465</PDBx:pdbx_model_Cartn_x_ideal> <PDBx:pdbx_model_Cartn_y_ideal>-2.106</PDBx:pdbx_model_Cartn_y_ideal> <PDBx:pdbx_model_Cartn_z_ideal>0.103</PDBx:pdbx_model_Cartn_z_ideal> <PDBx:pdbx_ordinal>26</PDBx:pdbx_ordinal> <PDBx:pdbx_stereo_config>N</PDBx:pdbx_stereo_config> <PDBx:type_symbol>O</PDBx:type_symbol> </PDBx:chem_comp_atom> <PDBx:chem_comp_atom atom_id="O08" comp_id="OL9"> <PDBx:alt_atom_id>O4</PDBx:alt_atom_id> <PDBx:charge>0</PDBx:charge> <PDBx:model_Cartn_x>165.659</PDBx:model_Cartn_x> <PDBx:model_Cartn_y>179.897</PDBx:model_Cartn_y> <PDBx:model_Cartn_z>141.656</PDBx:model_Cartn_z> <PDBx:pdbx_align>1</PDBx:pdbx_align> <PDBx:pdbx_aromatic_flag>N</PDBx:pdbx_aromatic_flag> <PDBx:pdbx_component_atom_id>O08</PDBx:pdbx_component_atom_id> <PDBx:pdbx_component_comp_id>OL9</PDBx:pdbx_component_comp_id> <PDBx:pdbx_leaving_atom_flag>N</PDBx:pdbx_leaving_atom_flag> <PDBx:pdbx_model_Cartn_x_ideal>7.828</PDBx:pdbx_model_Cartn_x_ideal> <PDBx:pdbx_model_Cartn_y_ideal>-0.400</PDBx:pdbx_model_Cartn_y_ideal> <PDBx:pdbx_model_Cartn_z_ideal>-0.235</PDBx:pdbx_model_Cartn_z_ideal> <PDBx:pdbx_ordinal>27</PDBx:pdbx_ordinal> <PDBx:pdbx_stereo_config>N</PDBx:pdbx_stereo_config> <PDBx:type_symbol>O</PDBx:type_symbol> </PDBx:chem_comp_atom> <PDBx:chem_comp_atom atom_id="S02" comp_id="OL9"> <PDBx:alt_atom_id>S1</PDBx:alt_atom_id> <PDBx:charge>0</PDBx:charge> <PDBx:model_Cartn_x>165.817</PDBx:model_Cartn_x> <PDBx:model_Cartn_y>173.021</PDBx:model_Cartn_y> <PDBx:model_Cartn_z>143.018</PDBx:model_Cartn_z> <PDBx:pdbx_align>1</PDBx:pdbx_align> <PDBx:pdbx_aromatic_flag>N</PDBx:pdbx_aromatic_flag> <PDBx:pdbx_component_atom_id>S02</PDBx:pdbx_component_atom_id> <PDBx:pdbx_component_comp_id>OL9</PDBx:pdbx_component_comp_id> <PDBx:pdbx_leaving_atom_flag>N</PDBx:pdbx_leaving_atom_flag> <PDBx:pdbx_model_Cartn_x_ideal>-0.105</PDBx:pdbx_model_Cartn_x_ideal> <PDBx:pdbx_model_Cartn_y_ideal>-0.228</PDBx:pdbx_model_Cartn_y_ideal> <PDBx:pdbx_model_Cartn_z_ideal>-1.311</PDBx:pdbx_model_Cartn_z_ideal> <PDBx:pdbx_ordinal>28</PDBx:pdbx_ordinal> <PDBx:pdbx_stereo_config>N</PDBx:pdbx_stereo_config> <PDBx:type_symbol>S</PDBx:type_symbol> </PDBx:chem_comp_atom> <PDBx:chem_comp_atom atom_id="CL01" comp_id="OL9"> <PDBx:alt_atom_id>CL1</PDBx:alt_atom_id> <PDBx:charge>0</PDBx:charge> <PDBx:model_Cartn_x>168.532</PDBx:model_Cartn_x> <PDBx:model_Cartn_y>168.965</PDBx:model_Cartn_y> <PDBx:model_Cartn_z>147.055</PDBx:model_Cartn_z> <PDBx:pdbx_align>0</PDBx:pdbx_align> <PDBx:pdbx_aromatic_flag>N</PDBx:pdbx_aromatic_flag> <PDBx:pdbx_component_atom_id>CL01</PDBx:pdbx_component_atom_id> <PDBx:pdbx_component_comp_id>OL9</PDBx:pdbx_component_comp_id> <PDBx:pdbx_leaving_atom_flag>N</PDBx:pdbx_leaving_atom_flag> <PDBx:pdbx_model_Cartn_x_ideal>-4.847</PDBx:pdbx_model_Cartn_x_ideal> <PDBx:pdbx_model_Cartn_y_ideal>-3.591</PDBx:pdbx_model_Cartn_y_ideal> <PDBx:pdbx_model_Cartn_z_ideal>1.020</PDBx:pdbx_model_Cartn_z_ideal> <PDBx:pdbx_ordinal>29</PDBx:pdbx_ordinal> <PDBx:pdbx_stereo_config>N</PDBx:pdbx_stereo_config> <PDBx:type_symbol>CL</PDBx:type_symbol> </PDBx:chem_comp_atom> <PDBx:chem_comp_atom atom_id="H101" comp_id="OL9"> <PDBx:alt_atom_id>H1</PDBx:alt_atom_id> <PDBx:charge>0</PDBx:charge> <PDBx:model_Cartn_x>163.754</PDBx:model_Cartn_x> <PDBx:model_Cartn_y>177.916</PDBx:model_Cartn_y> <PDBx:model_Cartn_z>144.498</PDBx:model_Cartn_z> <PDBx:pdbx_align>0</PDBx:pdbx_align> <PDBx:pdbx_aromatic_flag>N</PDBx:pdbx_aromatic_flag> <PDBx:pdbx_component_atom_id>H101</PDBx:pdbx_component_atom_id> <PDBx:pdbx_component_comp_id>OL9</PDBx:pdbx_component_comp_id> <PDBx:pdbx_leaving_atom_flag>N</PDBx:pdbx_leaving_atom_flag> <PDBx:pdbx_model_Cartn_x_ideal>3.216</PDBx:pdbx_model_Cartn_x_ideal> <PDBx:pdbx_model_Cartn_y_ideal>0.837</PDBx:pdbx_model_Cartn_y_ideal> <PDBx:pdbx_model_Cartn_z_ideal>1.484</PDBx:pdbx_model_Cartn_z_ideal> <PDBx:pdbx_ordinal>30</PDBx:pdbx_ordinal> <PDBx:pdbx_stereo_config>N</PDBx:pdbx_stereo_config> <PDBx:type_symbol>H</PDBx:type_symbol> </PDBx:chem_comp_atom> <PDBx:chem_comp_atom atom_id="H132" comp_id="OL9"> <PDBx:alt_atom_id>H2</PDBx:alt_atom_id> <PDBx:charge>0</PDBx:charge> <PDBx:model_Cartn_x>166.224</PDBx:model_Cartn_x> <PDBx:model_Cartn_y>177.246</PDBx:model_Cartn_y> <PDBx:model_Cartn_z>144.784</PDBx:model_Cartn_z> <PDBx:pdbx_align>0</PDBx:pdbx_align> <PDBx:pdbx_aromatic_flag>N</PDBx:pdbx_aromatic_flag> <PDBx:pdbx_component_atom_id>H132</PDBx:pdbx_component_atom_id> <PDBx:pdbx_component_comp_id>OL9</PDBx:pdbx_component_comp_id> <PDBx:pdbx_leaving_atom_flag>N</PDBx:pdbx_leaving_atom_flag> <PDBx:pdbx_model_Cartn_x_ideal>1.531</PDBx:pdbx_model_Cartn_x_ideal> <PDBx:pdbx_model_Cartn_y_ideal>-1.425</PDBx:pdbx_model_Cartn_y_ideal> <PDBx:pdbx_model_Cartn_z_ideal>0.318</PDBx:pdbx_model_Cartn_z_ideal> <PDBx:pdbx_ordinal>31</PDBx:pdbx_ordinal> <PDBx:pdbx_stereo_config>N</PDBx:pdbx_stereo_config> <PDBx:type_symbol>H</PDBx:type_symbol> </PDBx:chem_comp_atom> <PDBx:chem_comp_atom atom_id="H131" comp_id="OL9"> <PDBx:alt_atom_id>H3</PDBx:alt_atom_id> <PDBx:charge>0</PDBx:charge> <PDBx:model_Cartn_x>164.992</PDBx:model_Cartn_x> <PDBx:model_Cartn_y>176.539</PDBx:model_Cartn_y> <PDBx:model_Cartn_z>145.884</PDBx:model_Cartn_z> <PDBx:pdbx_align>0</PDBx:pdbx_align> <PDBx:pdbx_aromatic_flag>N</PDBx:pdbx_aromatic_flag> <PDBx:pdbx_component_atom_id>H131</PDBx:pdbx_component_atom_id> <PDBx:pdbx_component_comp_id>OL9</PDBx:pdbx_component_comp_id> <PDBx:pdbx_leaving_atom_flag>N</PDBx:pdbx_leaving_atom_flag> <PDBx:pdbx_model_Cartn_x_ideal>1.966</PDBx:pdbx_model_Cartn_x_ideal> <PDBx:pdbx_model_Cartn_y_ideal>-1.232</PDBx:pdbx_model_Cartn_y_ideal> <PDBx:pdbx_model_Cartn_z_ideal>2.034</PDBx:pdbx_model_Cartn_z_ideal> <PDBx:pdbx_ordinal>32</PDBx:pdbx_ordinal> <PDBx:pdbx_stereo_config>N</PDBx:pdbx_stereo_config> <PDBx:type_symbol>H</PDBx:type_symbol> </PDBx:chem_comp_atom> <PDBx:chem_comp_atom atom_id="H201" comp_id="OL9"> <PDBx:alt_atom_id>H4</PDBx:alt_atom_id> <PDBx:charge>0</PDBx:charge> <PDBx:model_Cartn_x>165.369</PDBx:model_Cartn_x> <PDBx:model_Cartn_y>173.897</PDBx:model_Cartn_y> <PDBx:model_Cartn_z>146.390</PDBx:model_Cartn_z> <PDBx:pdbx_align>0</PDBx:pdbx_align> <PDBx:pdbx_aromatic_flag>N</PDBx:pdbx_aromatic_flag> <PDBx:pdbx_component_atom_id>H201</PDBx:pdbx_component_atom_id> <PDBx:pdbx_component_comp_id>OL9</PDBx:pdbx_component_comp_id> <PDBx:pdbx_leaving_atom_flag>N</PDBx:pdbx_leaving_atom_flag> <PDBx:pdbx_model_Cartn_x_ideal>-2.002</PDBx:pdbx_model_Cartn_x_ideal> <PDBx:pdbx_model_Cartn_y_ideal>1.081</PDBx:pdbx_model_Cartn_y_ideal> <PDBx:pdbx_model_Cartn_z_ideal>-1.454</PDBx:pdbx_model_Cartn_z_ideal> <PDBx:pdbx_ordinal>33</PDBx:pdbx_ordinal> <PDBx:pdbx_stereo_config>N</PDBx:pdbx_stereo_config> <PDBx:type_symbol>H</PDBx:type_symbol> </PDBx:chem_comp_atom> <PDBx:chem_comp_atom atom_id="H211" comp_id="OL9"> <PDBx:alt_atom_id>H5</PDBx:alt_atom_id> <PDBx:charge>0</PDBx:charge> <PDBx:model_Cartn_x>168.381</PDBx:model_Cartn_x> <PDBx:model_Cartn_y>173.253</PDBx:model_Cartn_y> <PDBx:model_Cartn_z>144.669</PDBx:model_Cartn_z> <PDBx:pdbx_align>0</PDBx:pdbx_align> <PDBx:pdbx_aromatic_flag>N</PDBx:pdbx_aromatic_flag> <PDBx:pdbx_component_atom_id>H211</PDBx:pdbx_component_atom_id> <PDBx:pdbx_component_comp_id>OL9</PDBx:pdbx_component_comp_id> <PDBx:pdbx_leaving_atom_flag>N</PDBx:pdbx_leaving_atom_flag> <PDBx:pdbx_model_Cartn_x_ideal>-0.174</PDBx:pdbx_model_Cartn_x_ideal> <PDBx:pdbx_model_Cartn_y_ideal>-2.396</PDBx:pdbx_model_Cartn_y_ideal> <PDBx:pdbx_model_Cartn_z_ideal>0.560</PDBx:pdbx_model_Cartn_z_ideal> <PDBx:pdbx_ordinal>34</PDBx:pdbx_ordinal> <PDBx:pdbx_stereo_config>N</PDBx:pdbx_stereo_config> <PDBx:type_symbol>H</PDBx:type_symbol> </PDBx:chem_comp_atom> <PDBx:chem_comp_atom atom_id="H221" comp_id="OL9"> <PDBx:alt_atom_id>H6</PDBx:alt_atom_id> <PDBx:charge>0</PDBx:charge> <PDBx:model_Cartn_x>165.311</PDBx:model_Cartn_x> <PDBx:model_Cartn_y>170.515</PDBx:model_Cartn_y> <PDBx:model_Cartn_z>143.872</PDBx:model_Cartn_z> <PDBx:pdbx_align>0</PDBx:pdbx_align> <PDBx:pdbx_aromatic_flag>N</PDBx:pdbx_aromatic_flag> <PDBx:pdbx_component_atom_id>H221</PDBx:pdbx_component_atom_id> <PDBx:pdbx_component_comp_id>OL9</PDBx:pdbx_component_comp_id> <PDBx:pdbx_leaving_atom_flag>N</PDBx:pdbx_leaving_atom_flag> <PDBx:pdbx_model_Cartn_x_ideal>-2.931</PDBx:pdbx_model_Cartn_x_ideal> <PDBx:pdbx_model_Cartn_y_ideal>-0.122</PDBx:pdbx_model_Cartn_y_ideal> <PDBx:pdbx_model_Cartn_z_ideal>-1.767</PDBx:pdbx_model_Cartn_z_ideal> <PDBx:pdbx_ordinal>35</PDBx:pdbx_ordinal> <PDBx:pdbx_stereo_config>N</PDBx:pdbx_stereo_config> <PDBx:type_symbol>H</PDBx:type_symbol> </PDBx:chem_comp_atom> <PDBx:chem_comp_atom atom_id="H241" comp_id="OL9"> <PDBx:alt_atom_id>H7</PDBx:alt_atom_id> <PDBx:charge>0</PDBx:charge> <PDBx:model_Cartn_x>160.718</PDBx:model_Cartn_x> <PDBx:model_Cartn_y>172.538</PDBx:model_Cartn_y> <PDBx:model_Cartn_z>145.850</PDBx:model_Cartn_z> <PDBx:pdbx_align>0</PDBx:pdbx_align> <PDBx:pdbx_aromatic_flag>N</PDBx:pdbx_aromatic_flag> <PDBx:pdbx_component_atom_id>H241</PDBx:pdbx_component_atom_id> <PDBx:pdbx_component_comp_id>OL9</PDBx:pdbx_component_comp_id> <PDBx:pdbx_leaving_atom_flag>N</PDBx:pdbx_leaving_atom_flag> <PDBx:pdbx_model_Cartn_x_ideal>-1.958</PDBx:pdbx_model_Cartn_x_ideal> <PDBx:pdbx_model_Cartn_y_ideal>4.404</PDBx:pdbx_model_Cartn_y_ideal> <PDBx:pdbx_model_Cartn_z_ideal>2.185</PDBx:pdbx_model_Cartn_z_ideal> <PDBx:pdbx_ordinal>36</PDBx:pdbx_ordinal> <PDBx:pdbx_stereo_config>N</PDBx:pdbx_stereo_config> <PDBx:type_symbol>H</PDBx:type_symbol> </PDBx:chem_comp_atom> <PDBx:chem_comp_atom atom_id="H261" comp_id="OL9"> <PDBx:alt_atom_id>H8</PDBx:alt_atom_id> <PDBx:charge>0</PDBx:charge> <PDBx:model_Cartn_x>161.818</PDBx:model_Cartn_x> <PDBx:model_Cartn_y>172.302</PDBx:model_Cartn_y> <PDBx:model_Cartn_z>148.017</PDBx:model_Cartn_z> <PDBx:pdbx_align>0</PDBx:pdbx_align> <PDBx:pdbx_aromatic_flag>N</PDBx:pdbx_aromatic_flag> <PDBx:pdbx_component_atom_id>H261</PDBx:pdbx_component_atom_id> <PDBx:pdbx_component_comp_id>OL9</PDBx:pdbx_component_comp_id> <PDBx:pdbx_leaving_atom_flag>N</PDBx:pdbx_leaving_atom_flag> <PDBx:pdbx_model_Cartn_x_ideal>-3.911</PDBx:pdbx_model_Cartn_x_ideal> <PDBx:pdbx_model_Cartn_y_ideal>4.237</PDBx:pdbx_model_Cartn_y_ideal> <PDBx:pdbx_model_Cartn_z_ideal>0.695</PDBx:pdbx_model_Cartn_z_ideal> <PDBx:pdbx_ordinal>37</PDBx:pdbx_ordinal> <PDBx:pdbx_stereo_config>N</PDBx:pdbx_stereo_config> <PDBx:type_symbol>H</PDBx:type_symbol> </PDBx:chem_comp_atom> <PDBx:chem_comp_atom atom_id="H281" comp_id="OL9"> <PDBx:alt_atom_id>H9</PDBx:alt_atom_id> <PDBx:charge>0</PDBx:charge> <PDBx:model_Cartn_x>166.271</PDBx:model_Cartn_x> <PDBx:model_Cartn_y>168.963</PDBx:model_Cartn_y> <PDBx:model_Cartn_z>145.435</PDBx:model_Cartn_z> <PDBx:pdbx_align>0</PDBx:pdbx_align> <PDBx:pdbx_aromatic_flag>N</PDBx:pdbx_aromatic_flag> <PDBx:pdbx_component_atom_id>H281</PDBx:pdbx_component_atom_id> <PDBx:pdbx_component_comp_id>OL9</PDBx:pdbx_component_comp_id> <PDBx:pdbx_leaving_atom_flag>N</PDBx:pdbx_leaving_atom_flag> <PDBx:pdbx_model_Cartn_x_ideal>-4.796</PDBx:pdbx_model_Cartn_x_ideal> <PDBx:pdbx_model_Cartn_y_ideal>-1.441</PDBx:pdbx_model_Cartn_y_ideal> <PDBx:pdbx_model_Cartn_z_ideal>-0.849</PDBx:pdbx_model_Cartn_z_ideal> <PDBx:pdbx_ordinal>38</PDBx:pdbx_ordinal> <PDBx:pdbx_stereo_config>N</PDBx:pdbx_stereo_config> <PDBx:type_symbol>H</PDBx:type_symbol> </PDBx:chem_comp_atom> <PDBx:chem_comp_atom atom_id="H112" comp_id="OL9"> <PDBx:alt_atom_id>H10</PDBx:alt_atom_id> <PDBx:charge>0</PDBx:charge> <PDBx:model_Cartn_x>166.226</PDBx:model_Cartn_x> <PDBx:model_Cartn_y>174.732</PDBx:model_Cartn_y> <PDBx:model_Cartn_z>145.363</PDBx:model_Cartn_z> <PDBx:pdbx_align>0</PDBx:pdbx_align> <PDBx:pdbx_aromatic_flag>N</PDBx:pdbx_aromatic_flag> <PDBx:pdbx_component_atom_id>H112</PDBx:pdbx_component_atom_id> <PDBx:pdbx_component_comp_id>OL9</PDBx:pdbx_component_comp_id> <PDBx:pdbx_leaving_atom_flag>N</PDBx:pdbx_leaving_atom_flag> <PDBx:pdbx_model_Cartn_x_ideal>-0.310</PDBx:pdbx_model_Cartn_x_ideal> <PDBx:pdbx_model_Cartn_y_ideal>-0.354</PDBx:pdbx_model_Cartn_y_ideal> <PDBx:pdbx_model_Cartn_z_ideal>1.588</PDBx:pdbx_model_Cartn_z_ideal> <PDBx:pdbx_ordinal>39</PDBx:pdbx_ordinal> <PDBx:pdbx_stereo_config>N</PDBx:pdbx_stereo_config> <PDBx:type_symbol>H</PDBx:type_symbol> </PDBx:chem_comp_atom> <PDBx:chem_comp_atom atom_id="H111" comp_id="OL9"> <PDBx:alt_atom_id>H11</PDBx:alt_atom_id> <PDBx:charge>0</PDBx:charge> <PDBx:model_Cartn_x>166.585</PDBx:model_Cartn_x> <PDBx:model_Cartn_y>175.313</PDBx:model_Cartn_y> <PDBx:model_Cartn_z>143.702</PDBx:model_Cartn_z> <PDBx:pdbx_align>0</PDBx:pdbx_align> <PDBx:pdbx_aromatic_flag>N</PDBx:pdbx_aromatic_flag> <PDBx:pdbx_component_atom_id>H111</PDBx:pdbx_component_atom_id> <PDBx:pdbx_component_comp_id>OL9</PDBx:pdbx_component_comp_id> <PDBx:pdbx_leaving_atom_flag>N</PDBx:pdbx_leaving_atom_flag> <PDBx:pdbx_model_Cartn_x_ideal>0.794</PDBx:pdbx_model_Cartn_x_ideal> <PDBx:pdbx_model_Cartn_y_ideal>0.952</PDBx:pdbx_model_Cartn_y_ideal> <PDBx:pdbx_model_Cartn_z_ideal>2.085</PDBx:pdbx_model_Cartn_z_ideal> <PDBx:pdbx_ordinal>40</PDBx:pdbx_ordinal> <PDBx:pdbx_stereo_config>N</PDBx:pdbx_stereo_config> <PDBx:type_symbol>H</PDBx:type_symbol> </PDBx:chem_comp_atom> <PDBx:chem_comp_atom atom_id="H122" comp_id="OL9"> <PDBx:alt_atom_id>H12</PDBx:alt_atom_id> <PDBx:charge>0</PDBx:charge> <PDBx:model_Cartn_x>163.230</PDBx:model_Cartn_x> <PDBx:model_Cartn_y>174.283</PDBx:model_Cartn_y> <PDBx:model_Cartn_z>142.364</PDBx:model_Cartn_z> <PDBx:pdbx_align>0</PDBx:pdbx_align> <PDBx:pdbx_aromatic_flag>N</PDBx:pdbx_aromatic_flag> <PDBx:pdbx_component_atom_id>H122</PDBx:pdbx_component_atom_id> <PDBx:pdbx_component_comp_id>OL9</PDBx:pdbx_component_comp_id> <PDBx:pdbx_leaving_atom_flag>N</PDBx:pdbx_leaving_atom_flag> <PDBx:pdbx_model_Cartn_x_ideal>1.296</PDBx:pdbx_model_Cartn_x_ideal> <PDBx:pdbx_model_Cartn_y_ideal>2.321</PDBx:pdbx_model_Cartn_y_ideal> <PDBx:pdbx_model_Cartn_z_ideal>-1.340</PDBx:pdbx_model_Cartn_z_ideal> <PDBx:pdbx_ordinal>41</PDBx:pdbx_ordinal> <PDBx:pdbx_stereo_config>N</PDBx:pdbx_stereo_config> <PDBx:type_symbol>H</PDBx:type_symbol> </PDBx:chem_comp_atom> <PDBx:chem_comp_atom atom_id="H121" comp_id="OL9"> <PDBx:alt_atom_id>H13</PDBx:alt_atom_id> <PDBx:charge>0</PDBx:charge> <PDBx:model_Cartn_x>164.652</PDBx:model_Cartn_x> <PDBx:model_Cartn_y>175.333</PDBx:model_Cartn_y> <PDBx:model_Cartn_z>142.043</PDBx:model_Cartn_z> <PDBx:pdbx_align>0</PDBx:pdbx_align> <PDBx:pdbx_aromatic_flag>N</PDBx:pdbx_aromatic_flag> <PDBx:pdbx_component_atom_id>H121</PDBx:pdbx_component_atom_id> <PDBx:pdbx_component_comp_id>OL9</PDBx:pdbx_component_comp_id> <PDBx:pdbx_leaving_atom_flag>N</PDBx:pdbx_leaving_atom_flag> <PDBx:pdbx_model_Cartn_x_ideal>1.731</PDBx:pdbx_model_Cartn_x_ideal> <PDBx:pdbx_model_Cartn_y_ideal>2.514</PDBx:pdbx_model_Cartn_y_ideal> <PDBx:pdbx_model_Cartn_z_ideal>0.375</PDBx:pdbx_model_Cartn_z_ideal> <PDBx:pdbx_ordinal>42</PDBx:pdbx_ordinal> <PDBx:pdbx_stereo_config>N</PDBx:pdbx_stereo_config> <PDBx:type_symbol>H</PDBx:type_symbol> </PDBx:chem_comp_atom> <PDBx:chem_comp_atom atom_id="H141" comp_id="OL9"> <PDBx:alt_atom_id>H14</PDBx:alt_atom_id> <PDBx:charge>0</PDBx:charge> <PDBx:model_Cartn_x>162.608</PDBx:model_Cartn_x> <PDBx:model_Cartn_y>176.611</PDBx:model_Cartn_y> <PDBx:model_Cartn_z>142.728</PDBx:model_Cartn_z> <PDBx:pdbx_align>0</PDBx:pdbx_align> <PDBx:pdbx_aromatic_flag>N</PDBx:pdbx_aromatic_flag> <PDBx:pdbx_component_atom_id>H141</PDBx:pdbx_component_atom_id> <PDBx:pdbx_component_comp_id>OL9</PDBx:pdbx_component_comp_id> <PDBx:pdbx_leaving_atom_flag>N</PDBx:pdbx_leaving_atom_flag> <PDBx:pdbx_model_Cartn_x_ideal>3.572</PDBx:pdbx_model_Cartn_x_ideal> <PDBx:pdbx_model_Cartn_y_ideal>1.442</PDBx:pdbx_model_Cartn_y_ideal> <PDBx:pdbx_model_Cartn_z_ideal>-0.894</PDBx:pdbx_model_Cartn_z_ideal> <PDBx:pdbx_ordinal>43</PDBx:pdbx_ordinal> <PDBx:pdbx_stereo_config>N</PDBx:pdbx_stereo_config> <PDBx:type_symbol>H</PDBx:type_symbol> </PDBx:chem_comp_atom> <PDBx:chem_comp_atom atom_id="H142" comp_id="OL9"> <PDBx:alt_atom_id>H15</PDBx:alt_atom_id> <PDBx:charge>0</PDBx:charge> <PDBx:model_Cartn_x>162.650</PDBx:model_Cartn_x> <PDBx:model_Cartn_y>175.751</PDBx:model_Cartn_y> <PDBx:model_Cartn_z>144.304</PDBx:model_Cartn_z> <PDBx:pdbx_align>0</PDBx:pdbx_align> <PDBx:pdbx_aromatic_flag>N</PDBx:pdbx_aromatic_flag> <PDBx:pdbx_component_atom_id>H142</PDBx:pdbx_component_atom_id> <PDBx:pdbx_component_comp_id>OL9</PDBx:pdbx_component_comp_id> <PDBx:pdbx_leaving_atom_flag>N</PDBx:pdbx_leaving_atom_flag> <PDBx:pdbx_model_Cartn_x_ideal>2.469</PDBx:pdbx_model_Cartn_x_ideal> <PDBx:pdbx_model_Cartn_y_ideal>0.137</PDBx:pdbx_model_Cartn_y_ideal> <PDBx:pdbx_model_Cartn_z_ideal>-1.391</PDBx:pdbx_model_Cartn_z_ideal> <PDBx:pdbx_ordinal>44</PDBx:pdbx_ordinal> <PDBx:pdbx_stereo_config>N</PDBx:pdbx_stereo_config> <PDBx:type_symbol>H</PDBx:type_symbol> </PDBx:chem_comp_atom> <PDBx:chem_comp_atom atom_id="H161" comp_id="OL9"> <PDBx:alt_atom_id>H16</PDBx:alt_atom_id> <PDBx:charge>0</PDBx:charge> <PDBx:model_Cartn_x>165.250</PDBx:model_Cartn_x> <PDBx:model_Cartn_y>176.776</PDBx:model_Cartn_y> <PDBx:model_Cartn_z>142.135</PDBx:model_Cartn_z> <PDBx:pdbx_align>0</PDBx:pdbx_align> <PDBx:pdbx_aromatic_flag>N</PDBx:pdbx_aromatic_flag> <PDBx:pdbx_component_atom_id>H161</PDBx:pdbx_component_atom_id> <PDBx:pdbx_component_comp_id>OL9</PDBx:pdbx_component_comp_id> <PDBx:pdbx_leaving_atom_flag>N</PDBx:pdbx_leaving_atom_flag> <PDBx:pdbx_model_Cartn_x_ideal>4.333</PDBx:pdbx_model_Cartn_x_ideal> <PDBx:pdbx_model_Cartn_y_ideal>-1.411</PDBx:pdbx_model_Cartn_y_ideal> <PDBx:pdbx_model_Cartn_z_ideal>1.403</PDBx:pdbx_model_Cartn_z_ideal> <PDBx:pdbx_ordinal>45</PDBx:pdbx_ordinal> <PDBx:pdbx_stereo_config>N</PDBx:pdbx_stereo_config> <PDBx:type_symbol>H</PDBx:type_symbol> </PDBx:chem_comp_atom> <PDBx:chem_comp_atom atom_id="H162" comp_id="OL9"> <PDBx:alt_atom_id>H17</PDBx:alt_atom_id> <PDBx:charge>0</PDBx:charge> <PDBx:model_Cartn_x>165.727</PDBx:model_Cartn_x> <PDBx:model_Cartn_y>178.276</PDBx:model_Cartn_y> <PDBx:model_Cartn_z>143.001</PDBx:model_Cartn_z> <PDBx:pdbx_align>0</PDBx:pdbx_align> <PDBx:pdbx_aromatic_flag>N</PDBx:pdbx_aromatic_flag> <PDBx:pdbx_component_atom_id>H162</PDBx:pdbx_component_atom_id> <PDBx:pdbx_component_comp_id>OL9</PDBx:pdbx_component_comp_id> <PDBx:pdbx_leaving_atom_flag>N</PDBx:pdbx_leaving_atom_flag> <PDBx:pdbx_model_Cartn_x_ideal>3.989</PDBx:pdbx_model_Cartn_x_ideal> <PDBx:pdbx_model_Cartn_y_ideal>-1.482</PDBx:pdbx_model_Cartn_y_ideal> <PDBx:pdbx_model_Cartn_z_ideal>-0.341</PDBx:pdbx_model_Cartn_z_ideal> <PDBx:pdbx_ordinal>46</PDBx:pdbx_ordinal> <PDBx:pdbx_stereo_config>N</PDBx:pdbx_stereo_config> <PDBx:type_symbol>H</PDBx:type_symbol> </PDBx:chem_comp_atom> <PDBx:chem_comp_atom atom_id="H181" comp_id="OL9"> <PDBx:alt_atom_id>H18</PDBx:alt_atom_id> <PDBx:charge>0</PDBx:charge> <PDBx:model_Cartn_x>163.312</PDBx:model_Cartn_x> <PDBx:model_Cartn_y>179.112</PDBx:model_Cartn_y> <PDBx:model_Cartn_z>142.521</PDBx:model_Cartn_z> <PDBx:pdbx_align>0</PDBx:pdbx_align> <PDBx:pdbx_aromatic_flag>N</PDBx:pdbx_aromatic_flag> <PDBx:pdbx_component_atom_id>H181</PDBx:pdbx_component_atom_id> <PDBx:pdbx_component_comp_id>OL9</PDBx:pdbx_component_comp_id> <PDBx:pdbx_leaving_atom_flag>N</PDBx:pdbx_leaving_atom_flag> <PDBx:pdbx_model_Cartn_x_ideal>5.286</PDBx:pdbx_model_Cartn_x_ideal> <PDBx:pdbx_model_Cartn_y_ideal>0.604</PDBx:pdbx_model_Cartn_y_ideal> <PDBx:pdbx_model_Cartn_z_ideal>-0.682</PDBx:pdbx_model_Cartn_z_ideal> <PDBx:pdbx_ordinal>47</PDBx:pdbx_ordinal> <PDBx:pdbx_stereo_config>N</PDBx:pdbx_stereo_config> <PDBx:type_symbol>H</PDBx:type_symbol> </PDBx:chem_comp_atom> <PDBx:chem_comp_atom atom_id="H182" comp_id="OL9"> <PDBx:alt_atom_id>H19</PDBx:alt_atom_id> <PDBx:charge>0</PDBx:charge> <PDBx:model_Cartn_x>163.224</PDBx:model_Cartn_x> <PDBx:model_Cartn_y>177.767</PDBx:model_Cartn_y> <PDBx:model_Cartn_z>141.335</PDBx:model_Cartn_z> <PDBx:pdbx_align>0</PDBx:pdbx_align> <PDBx:pdbx_aromatic_flag>N</PDBx:pdbx_aromatic_flag> <PDBx:pdbx_component_atom_id>H182</PDBx:pdbx_component_atom_id> <PDBx:pdbx_component_comp_id>OL9</PDBx:pdbx_component_comp_id> <PDBx:pdbx_leaving_atom_flag>N</PDBx:pdbx_leaving_atom_flag> <PDBx:pdbx_model_Cartn_x_ideal>5.630</PDBx:pdbx_model_Cartn_x_ideal> <PDBx:pdbx_model_Cartn_y_ideal>0.674</PDBx:pdbx_model_Cartn_y_ideal> <PDBx:pdbx_model_Cartn_z_ideal>1.064</PDBx:pdbx_model_Cartn_z_ideal> <PDBx:pdbx_ordinal>48</PDBx:pdbx_ordinal> <PDBx:pdbx_stereo_config>N</PDBx:pdbx_stereo_config> <PDBx:type_symbol>H</PDBx:type_symbol> </PDBx:chem_comp_atom> <PDBx:chem_comp_atom atom_id="H271" comp_id="OL9"> <PDBx:alt_atom_id>H20</PDBx:alt_atom_id> <PDBx:charge>0</PDBx:charge> <PDBx:model_Cartn_x>169.406</PDBx:model_Cartn_x> <PDBx:model_Cartn_y>171.686</PDBx:model_Cartn_y> <PDBx:model_Cartn_z>146.220</PDBx:model_Cartn_z> <PDBx:pdbx_align>0</PDBx:pdbx_align> <PDBx:pdbx_aromatic_flag>N</PDBx:pdbx_aromatic_flag> <PDBx:pdbx_component_atom_id>H271</PDBx:pdbx_component_atom_id> <PDBx:pdbx_component_comp_id>OL9</PDBx:pdbx_component_comp_id> <PDBx:pdbx_leaving_atom_flag>N</PDBx:pdbx_leaving_atom_flag> <PDBx:pdbx_model_Cartn_x_ideal>-2.038</PDBx:pdbx_model_Cartn_x_ideal> <PDBx:pdbx_model_Cartn_y_ideal>-3.717</PDBx:pdbx_model_Cartn_y_ideal> <PDBx:pdbx_model_Cartn_z_ideal>1.479</PDBx:pdbx_model_Cartn_z_ideal> <PDBx:pdbx_ordinal>49</PDBx:pdbx_ordinal> <PDBx:pdbx_stereo_config>N</PDBx:pdbx_stereo_config> <PDBx:type_symbol>H</PDBx:type_symbol> </PDBx:chem_comp_atom> <PDBx:chem_comp_atom atom_id="H1" comp_id="OL9"> <PDBx:alt_atom_id>H21</PDBx:alt_atom_id> <PDBx:charge>0</PDBx:charge> <PDBx:model_Cartn_x>166.311</PDBx:model_Cartn_x> <PDBx:model_Cartn_y>180.214</PDBx:model_Cartn_y> <PDBx:model_Cartn_z>141.042</PDBx:model_Cartn_z> <PDBx:pdbx_align>1</PDBx:pdbx_align> <PDBx:pdbx_aromatic_flag>N</PDBx:pdbx_aromatic_flag> <PDBx:pdbx_component_atom_id>H1</PDBx:pdbx_component_atom_id> <PDBx:pdbx_component_comp_id>OL9</PDBx:pdbx_component_comp_id> <PDBx:pdbx_leaving_atom_flag>N</PDBx:pdbx_leaving_atom_flag> <PDBx:pdbx_model_Cartn_x_ideal>8.553</PDBx:pdbx_model_Cartn_x_ideal> <PDBx:pdbx_model_Cartn_y_ideal>-1.030</PDBx:pdbx_model_Cartn_y_ideal> <PDBx:pdbx_model_Cartn_z_ideal>-0.352</PDBx:pdbx_model_Cartn_z_ideal> <PDBx:pdbx_ordinal>50</PDBx:pdbx_ordinal> <PDBx:pdbx_stereo_config>N</PDBx:pdbx_stereo_config> <PDBx:type_symbol>H</PDBx:type_symbol> </PDBx:chem_comp_atom> </PDBx:chem_comp_atomCategory> <PDBx:chem_comp_bondCategory> <PDBx:chem_comp_bond atom_id_1="O07" atom_id_2="C25" comp_id="OL9"> <PDBx:pdbx_aromatic_flag>N</PDBx:pdbx_aromatic_flag> <PDBx:pdbx_ordinal>1</PDBx:pdbx_ordinal> <PDBx:pdbx_stereo_config>N</PDBx:pdbx_stereo_config> <PDBx:value_order>doub</PDBx:value_order> </PDBx:chem_comp_bond> <PDBx:chem_comp_bond atom_id_1="C25" atom_id_2="O08" comp_id="OL9"> <PDBx:pdbx_aromatic_flag>N</PDBx:pdbx_aromatic_flag> <PDBx:pdbx_ordinal>2</PDBx:pdbx_ordinal> <PDBx:pdbx_stereo_config>N</PDBx:pdbx_stereo_config> <PDBx:value_order>sing</PDBx:value_order> </PDBx:chem_comp_bond> <PDBx:chem_comp_bond atom_id_1="C25" atom_id_2="C18" comp_id="OL9"> <PDBx:pdbx_aromatic_flag>N</PDBx:pdbx_aromatic_flag> <PDBx:pdbx_ordinal>3</PDBx:pdbx_ordinal> <PDBx:pdbx_stereo_config>N</PDBx:pdbx_stereo_config> <PDBx:value_order>sing</PDBx:value_order> </PDBx:chem_comp_bond> <PDBx:chem_comp_bond atom_id_1="C18" atom_id_2="C16" comp_id="OL9"> <PDBx:pdbx_aromatic_flag>N</PDBx:pdbx_aromatic_flag> <PDBx:pdbx_ordinal>4</PDBx:pdbx_ordinal> <PDBx:pdbx_stereo_config>N</PDBx:pdbx_stereo_config> <PDBx:value_order>sing</PDBx:value_order> </PDBx:chem_comp_bond> <PDBx:chem_comp_bond atom_id_1="O06" atom_id_2="S02" comp_id="OL9"> <PDBx:pdbx_aromatic_flag>N</PDBx:pdbx_aromatic_flag> <PDBx:pdbx_ordinal>5</PDBx:pdbx_ordinal> <PDBx:pdbx_stereo_config>N</PDBx:pdbx_stereo_config> <PDBx:value_order>doub</PDBx:value_order> </PDBx:chem_comp_bond> <PDBx:chem_comp_bond atom_id_1="O05" atom_id_2="S02" comp_id="OL9"> <PDBx:pdbx_aromatic_flag>N</PDBx:pdbx_aromatic_flag> <PDBx:pdbx_ordinal>6</PDBx:pdbx_ordinal> <PDBx:pdbx_stereo_config>N</PDBx:pdbx_stereo_config> <PDBx:value_order>doub</PDBx:value_order> </PDBx:chem_comp_bond> <PDBx:chem_comp_bond atom_id_1="C16" atom_id_2="C10" comp_id="OL9"> <PDBx:pdbx_aromatic_flag>N</PDBx:pdbx_aromatic_flag> <PDBx:pdbx_ordinal>7</PDBx:pdbx_ordinal> <PDBx:pdbx_stereo_config>N</PDBx:pdbx_stereo_config> <PDBx:value_order>sing</PDBx:value_order> </PDBx:chem_comp_bond> <PDBx:chem_comp_bond atom_id_1="C12" atom_id_2="C14" comp_id="OL9"> <PDBx:pdbx_aromatic_flag>N</PDBx:pdbx_aromatic_flag> <PDBx:pdbx_ordinal>8</PDBx:pdbx_ordinal> <PDBx:pdbx_stereo_config>N</PDBx:pdbx_stereo_config> <PDBx:value_order>sing</PDBx:value_order> </PDBx:chem_comp_bond> <PDBx:chem_comp_bond atom_id_1="C12" atom_id_2="C09" comp_id="OL9"> <PDBx:pdbx_aromatic_flag>N</PDBx:pdbx_aromatic_flag> <PDBx:pdbx_ordinal>9</PDBx:pdbx_ordinal> <PDBx:pdbx_stereo_config>N</PDBx:pdbx_stereo_config> <PDBx:value_order>sing</PDBx:value_order> </PDBx:chem_comp_bond> <PDBx:chem_comp_bond atom_id_1="S02" atom_id_2="C09" comp_id="OL9"> <PDBx:pdbx_aromatic_flag>N</PDBx:pdbx_aromatic_flag> <PDBx:pdbx_ordinal>10</PDBx:pdbx_ordinal> <PDBx:pdbx_stereo_config>N</PDBx:pdbx_stereo_config> <PDBx:value_order>sing</PDBx:value_order> </PDBx:chem_comp_bond> <PDBx:chem_comp_bond atom_id_1="S02" atom_id_2="C17" comp_id="OL9"> <PDBx:pdbx_aromatic_flag>N</PDBx:pdbx_aromatic_flag> <PDBx:pdbx_ordinal>11</PDBx:pdbx_ordinal> <PDBx:pdbx_stereo_config>N</PDBx:pdbx_stereo_config> <PDBx:value_order>sing</PDBx:value_order> </PDBx:chem_comp_bond> <PDBx:chem_comp_bond atom_id_1="C14" atom_id_2="C10" comp_id="OL9"> <PDBx:pdbx_aromatic_flag>N</PDBx:pdbx_aromatic_flag> <PDBx:pdbx_ordinal>12</PDBx:pdbx_ordinal> <PDBx:pdbx_stereo_config>N</PDBx:pdbx_stereo_config> <PDBx:value_order>sing</PDBx:value_order> </PDBx:chem_comp_bond> <PDBx:chem_comp_bond atom_id_1="F03" atom_id_2="C19" comp_id="OL9"> <PDBx:pdbx_aromatic_flag>N</PDBx:pdbx_aromatic_flag> <PDBx:pdbx_ordinal>13</PDBx:pdbx_ordinal> <PDBx:pdbx_stereo_config>N</PDBx:pdbx_stereo_config> <PDBx:value_order>sing</PDBx:value_order> </PDBx:chem_comp_bond> <PDBx:chem_comp_bond atom_id_1="C09" atom_id_2="C11" comp_id="OL9"> <PDBx:pdbx_aromatic_flag>N</PDBx:pdbx_aromatic_flag> <PDBx:pdbx_ordinal>14</PDBx:pdbx_ordinal> <PDBx:pdbx_stereo_config>N</PDBx:pdbx_stereo_config> <PDBx:value_order>sing</PDBx:value_order> </PDBx:chem_comp_bond> <PDBx:chem_comp_bond atom_id_1="C09" atom_id_2="C15" comp_id="OL9"> <PDBx:pdbx_aromatic_flag>N</PDBx:pdbx_aromatic_flag> <PDBx:pdbx_ordinal>15</PDBx:pdbx_ordinal> <PDBx:pdbx_stereo_config>N</PDBx:pdbx_stereo_config> <PDBx:value_order>sing</PDBx:value_order> </PDBx:chem_comp_bond> <PDBx:chem_comp_bond atom_id_1="C10" atom_id_2="C13" comp_id="OL9"> <PDBx:pdbx_aromatic_flag>N</PDBx:pdbx_aromatic_flag> <PDBx:pdbx_ordinal>16</PDBx:pdbx_ordinal> <PDBx:pdbx_stereo_config>N</PDBx:pdbx_stereo_config> <PDBx:value_order>sing</PDBx:value_order> </PDBx:chem_comp_bond> <PDBx:chem_comp_bond atom_id_1="C17" atom_id_2="C22" comp_id="OL9"> <PDBx:pdbx_aromatic_flag>Y</PDBx:pdbx_aromatic_flag> <PDBx:pdbx_ordinal>17</PDBx:pdbx_ordinal> <PDBx:pdbx_stereo_config>N</PDBx:pdbx_stereo_config> <PDBx:value_order>doub</PDBx:value_order> </PDBx:chem_comp_bond> <PDBx:chem_comp_bond atom_id_1="C17" atom_id_2="C21" comp_id="OL9"> <PDBx:pdbx_aromatic_flag>Y</PDBx:pdbx_aromatic_flag> <PDBx:pdbx_ordinal>18</PDBx:pdbx_ordinal> <PDBx:pdbx_stereo_config>N</PDBx:pdbx_stereo_config> <PDBx:value_order>sing</PDBx:value_order> </PDBx:chem_comp_bond> <PDBx:chem_comp_bond atom_id_1="C22" atom_id_2="C28" comp_id="OL9"> <PDBx:pdbx_aromatic_flag>Y</PDBx:pdbx_aromatic_flag> <PDBx:pdbx_ordinal>19</PDBx:pdbx_ordinal> <PDBx:pdbx_stereo_config>N</PDBx:pdbx_stereo_config> <PDBx:value_order>sing</PDBx:value_order> </PDBx:chem_comp_bond> <PDBx:chem_comp_bond atom_id_1="C11" atom_id_2="C13" comp_id="OL9"> <PDBx:pdbx_aromatic_flag>N</PDBx:pdbx_aromatic_flag> <PDBx:pdbx_ordinal>20</PDBx:pdbx_ordinal> <PDBx:pdbx_stereo_config>N</PDBx:pdbx_stereo_config> <PDBx:value_order>sing</PDBx:value_order> </PDBx:chem_comp_bond> <PDBx:chem_comp_bond atom_id_1="C21" atom_id_2="C27" comp_id="OL9"> <PDBx:pdbx_aromatic_flag>Y</PDBx:pdbx_aromatic_flag> <PDBx:pdbx_ordinal>21</PDBx:pdbx_ordinal> <PDBx:pdbx_stereo_config>N</PDBx:pdbx_stereo_config> <PDBx:value_order>doub</PDBx:value_order> </PDBx:chem_comp_bond> <PDBx:chem_comp_bond atom_id_1="C19" atom_id_2="C15" comp_id="OL9"> <PDBx:pdbx_aromatic_flag>Y</PDBx:pdbx_aromatic_flag> <PDBx:pdbx_ordinal>22</PDBx:pdbx_ordinal> <PDBx:pdbx_stereo_config>N</PDBx:pdbx_stereo_config> <PDBx:value_order>doub</PDBx:value_order> </PDBx:chem_comp_bond> <PDBx:chem_comp_bond atom_id_1="C19" atom_id_2="C24" comp_id="OL9"> <PDBx:pdbx_aromatic_flag>Y</PDBx:pdbx_aromatic_flag> <PDBx:pdbx_ordinal>23</PDBx:pdbx_ordinal> <PDBx:pdbx_stereo_config>N</PDBx:pdbx_stereo_config> <PDBx:value_order>sing</PDBx:value_order> </PDBx:chem_comp_bond> <PDBx:chem_comp_bond atom_id_1="C15" atom_id_2="C20" comp_id="OL9"> <PDBx:pdbx_aromatic_flag>Y</PDBx:pdbx_aromatic_flag> <PDBx:pdbx_ordinal>24</PDBx:pdbx_ordinal> <PDBx:pdbx_stereo_config>N</PDBx:pdbx_stereo_config> <PDBx:value_order>sing</PDBx:value_order> </PDBx:chem_comp_bond> <PDBx:chem_comp_bond atom_id_1="C28" atom_id_2="C29" comp_id="OL9"> <PDBx:pdbx_aromatic_flag>Y</PDBx:pdbx_aromatic_flag> <PDBx:pdbx_ordinal>25</PDBx:pdbx_ordinal> <PDBx:pdbx_stereo_config>N</PDBx:pdbx_stereo_config> <PDBx:value_order>doub</PDBx:value_order> </PDBx:chem_comp_bond> <PDBx:chem_comp_bond atom_id_1="C27" atom_id_2="C29" comp_id="OL9"> <PDBx:pdbx_aromatic_flag>Y</PDBx:pdbx_aromatic_flag> <PDBx:pdbx_ordinal>26</PDBx:pdbx_ordinal> <PDBx:pdbx_stereo_config>N</PDBx:pdbx_stereo_config> <PDBx:value_order>sing</PDBx:value_order> </PDBx:chem_comp_bond> <PDBx:chem_comp_bond atom_id_1="C29" atom_id_2="CL01" comp_id="OL9"> <PDBx:pdbx_aromatic_flag>N</PDBx:pdbx_aromatic_flag> <PDBx:pdbx_ordinal>27</PDBx:pdbx_ordinal> <PDBx:pdbx_stereo_config>N</PDBx:pdbx_stereo_config> <PDBx:value_order>sing</PDBx:value_order> </PDBx:chem_comp_bond> <PDBx:chem_comp_bond atom_id_1="C24" atom_id_2="C26" comp_id="OL9"> <PDBx:pdbx_aromatic_flag>Y</PDBx:pdbx_aromatic_flag> <PDBx:pdbx_ordinal>28</PDBx:pdbx_ordinal> <PDBx:pdbx_stereo_config>N</PDBx:pdbx_stereo_config> <PDBx:value_order>doub</PDBx:value_order> </PDBx:chem_comp_bond> <PDBx:chem_comp_bond atom_id_1="C20" atom_id_2="C23" comp_id="OL9"> <PDBx:pdbx_aromatic_flag>Y</PDBx:pdbx_aromatic_flag> <PDBx:pdbx_ordinal>29</PDBx:pdbx_ordinal> <PDBx:pdbx_stereo_config>N</PDBx:pdbx_stereo_config> <PDBx:value_order>doub</PDBx:value_order> </PDBx:chem_comp_bond> <PDBx:chem_comp_bond atom_id_1="C26" atom_id_2="C23" comp_id="OL9"> <PDBx:pdbx_aromatic_flag>Y</PDBx:pdbx_aromatic_flag> <PDBx:pdbx_ordinal>30</PDBx:pdbx_ordinal> <PDBx:pdbx_stereo_config>N</PDBx:pdbx_stereo_config> <PDBx:value_order>sing</PDBx:value_order> </PDBx:chem_comp_bond> <PDBx:chem_comp_bond atom_id_1="C23" atom_id_2="F04" comp_id="OL9"> <PDBx:pdbx_aromatic_flag>N</PDBx:pdbx_aromatic_flag> <PDBx:pdbx_ordinal>31</PDBx:pdbx_ordinal> <PDBx:pdbx_stereo_config>N</PDBx:pdbx_stereo_config> <PDBx:value_order>sing</PDBx:value_order> </PDBx:chem_comp_bond> <PDBx:chem_comp_bond atom_id_1="C10" atom_id_2="H101" comp_id="OL9"> <PDBx:pdbx_aromatic_flag>N</PDBx:pdbx_aromatic_flag> <PDBx:pdbx_ordinal>32</PDBx:pdbx_ordinal> <PDBx:pdbx_stereo_config>N</PDBx:pdbx_stereo_config> <PDBx:value_order>sing</PDBx:value_order> </PDBx:chem_comp_bond> <PDBx:chem_comp_bond atom_id_1="C13" atom_id_2="H132" comp_id="OL9"> <PDBx:pdbx_aromatic_flag>N</PDBx:pdbx_aromatic_flag> <PDBx:pdbx_ordinal>33</PDBx:pdbx_ordinal> <PDBx:pdbx_stereo_config>N</PDBx:pdbx_stereo_config> <PDBx:value_order>sing</PDBx:value_order> </PDBx:chem_comp_bond> <PDBx:chem_comp_bond atom_id_1="C13" atom_id_2="H131" comp_id="OL9"> <PDBx:pdbx_aromatic_flag>N</PDBx:pdbx_aromatic_flag> <PDBx:pdbx_ordinal>34</PDBx:pdbx_ordinal> <PDBx:pdbx_stereo_config>N</PDBx:pdbx_stereo_config> <PDBx:value_order>sing</PDBx:value_order> </PDBx:chem_comp_bond> <PDBx:chem_comp_bond atom_id_1="C20" atom_id_2="H201" comp_id="OL9"> <PDBx:pdbx_aromatic_flag>N</PDBx:pdbx_aromatic_flag> <PDBx:pdbx_ordinal>35</PDBx:pdbx_ordinal> <PDBx:pdbx_stereo_config>N</PDBx:pdbx_stereo_config> <PDBx:value_order>sing</PDBx:value_order> </PDBx:chem_comp_bond> <PDBx:chem_comp_bond atom_id_1="C21" atom_id_2="H211" comp_id="OL9"> <PDBx:pdbx_aromatic_flag>N</PDBx:pdbx_aromatic_flag> <PDBx:pdbx_ordinal>36</PDBx:pdbx_ordinal> <PDBx:pdbx_stereo_config>N</PDBx:pdbx_stereo_config> <PDBx:value_order>sing</PDBx:value_order> </PDBx:chem_comp_bond> <PDBx:chem_comp_bond atom_id_1="C22" atom_id_2="H221" comp_id="OL9"> <PDBx:pdbx_aromatic_flag>N</PDBx:pdbx_aromatic_flag> <PDBx:pdbx_ordinal>37</PDBx:pdbx_ordinal> <PDBx:pdbx_stereo_config>N</PDBx:pdbx_stereo_config> <PDBx:value_order>sing</PDBx:value_order> </PDBx:chem_comp_bond> <PDBx:chem_comp_bond atom_id_1="C24" atom_id_2="H241" comp_id="OL9"> <PDBx:pdbx_aromatic_flag>N</PDBx:pdbx_aromatic_flag> <PDBx:pdbx_ordinal>38</PDBx:pdbx_ordinal> <PDBx:pdbx_stereo_config>N</PDBx:pdbx_stereo_config> <PDBx:value_order>sing</PDBx:value_order> </PDBx:chem_comp_bond> <PDBx:chem_comp_bond atom_id_1="C26" atom_id_2="H261" comp_id="OL9"> <PDBx:pdbx_aromatic_flag>N</PDBx:pdbx_aromatic_flag> <PDBx:pdbx_ordinal>39</PDBx:pdbx_ordinal> <PDBx:pdbx_stereo_config>N</PDBx:pdbx_stereo_config> <PDBx:value_order>sing</PDBx:value_order> </PDBx:chem_comp_bond> <PDBx:chem_comp_bond atom_id_1="C28" atom_id_2="H281" comp_id="OL9"> <PDBx:pdbx_aromatic_flag>N</PDBx:pdbx_aromatic_flag> <PDBx:pdbx_ordinal>40</PDBx:pdbx_ordinal> <PDBx:pdbx_stereo_config>N</PDBx:pdbx_stereo_config> <PDBx:value_order>sing</PDBx:value_order> </PDBx:chem_comp_bond> <PDBx:chem_comp_bond atom_id_1="C11" atom_id_2="H112" comp_id="OL9"> <PDBx:pdbx_aromatic_flag>N</PDBx:pdbx_aromatic_flag> <PDBx:pdbx_ordinal>41</PDBx:pdbx_ordinal> <PDBx:pdbx_stereo_config>N</PDBx:pdbx_stereo_config> <PDBx:value_order>sing</PDBx:value_order> </PDBx:chem_comp_bond> <PDBx:chem_comp_bond atom_id_1="C11" atom_id_2="H111" comp_id="OL9"> <PDBx:pdbx_aromatic_flag>N</PDBx:pdbx_aromatic_flag> <PDBx:pdbx_ordinal>42</PDBx:pdbx_ordinal> <PDBx:pdbx_stereo_config>N</PDBx:pdbx_stereo_config> <PDBx:value_order>sing</PDBx:value_order> </PDBx:chem_comp_bond> <PDBx:chem_comp_bond atom_id_1="C12" atom_id_2="H122" comp_id="OL9"> <PDBx:pdbx_aromatic_flag>N</PDBx:pdbx_aromatic_flag> <PDBx:pdbx_ordinal>43</PDBx:pdbx_ordinal> <PDBx:pdbx_stereo_config>N</PDBx:pdbx_stereo_config> <PDBx:value_order>sing</PDBx:value_order> </PDBx:chem_comp_bond> <PDBx:chem_comp_bond atom_id_1="C12" atom_id_2="H121" comp_id="OL9"> <PDBx:pdbx_aromatic_flag>N</PDBx:pdbx_aromatic_flag> <PDBx:pdbx_ordinal>44</PDBx:pdbx_ordinal> <PDBx:pdbx_stereo_config>N</PDBx:pdbx_stereo_config> <PDBx:value_order>sing</PDBx:value_order> </PDBx:chem_comp_bond> <PDBx:chem_comp_bond atom_id_1="C14" atom_id_2="H141" comp_id="OL9"> <PDBx:pdbx_aromatic_flag>N</PDBx:pdbx_aromatic_flag> <PDBx:pdbx_ordinal>45</PDBx:pdbx_ordinal> <PDBx:pdbx_stereo_config>N</PDBx:pdbx_stereo_config> <PDBx:value_order>sing</PDBx:value_order> </PDBx:chem_comp_bond> <PDBx:chem_comp_bond atom_id_1="C14" atom_id_2="H142" comp_id="OL9"> <PDBx:pdbx_aromatic_flag>N</PDBx:pdbx_aromatic_flag> <PDBx:pdbx_ordinal>46</PDBx:pdbx_ordinal> <PDBx:pdbx_stereo_config>N</PDBx:pdbx_stereo_config> <PDBx:value_order>sing</PDBx:value_order> </PDBx:chem_comp_bond> <PDBx:chem_comp_bond atom_id_1="C16" atom_id_2="H161" comp_id="OL9"> <PDBx:pdbx_aromatic_flag>N</PDBx:pdbx_aromatic_flag> <PDBx:pdbx_ordinal>47</PDBx:pdbx_ordinal> <PDBx:pdbx_stereo_config>N</PDBx:pdbx_stereo_config> <PDBx:value_order>sing</PDBx:value_order> </PDBx:chem_comp_bond> <PDBx:chem_comp_bond atom_id_1="C16" atom_id_2="H162" comp_id="OL9"> <PDBx:pdbx_aromatic_flag>N</PDBx:pdbx_aromatic_flag> <PDBx:pdbx_ordinal>48</PDBx:pdbx_ordinal> <PDBx:pdbx_stereo_config>N</PDBx:pdbx_stereo_config> <PDBx:value_order>sing</PDBx:value_order> </PDBx:chem_comp_bond> <PDBx:chem_comp_bond atom_id_1="C18" atom_id_2="H181" comp_id="OL9"> <PDBx:pdbx_aromatic_flag>N</PDBx:pdbx_aromatic_flag> <PDBx:pdbx_ordinal>49</PDBx:pdbx_ordinal> <PDBx:pdbx_stereo_config>N</PDBx:pdbx_stereo_config> <PDBx:value_order>sing</PDBx:value_order> </PDBx:chem_comp_bond> <PDBx:chem_comp_bond atom_id_1="C18" atom_id_2="H182" comp_id="OL9"> <PDBx:pdbx_aromatic_flag>N</PDBx:pdbx_aromatic_flag> <PDBx:pdbx_ordinal>50</PDBx:pdbx_ordinal> <PDBx:pdbx_stereo_config>N</PDBx:pdbx_stereo_config> <PDBx:value_order>sing</PDBx:value_order> </PDBx:chem_comp_bond> <PDBx:chem_comp_bond atom_id_1="C27" atom_id_2="H271" comp_id="OL9"> <PDBx:pdbx_aromatic_flag>N</PDBx:pdbx_aromatic_flag> <PDBx:pdbx_ordinal>51</PDBx:pdbx_ordinal> <PDBx:pdbx_stereo_config>N</PDBx:pdbx_stereo_config> <PDBx:value_order>sing</PDBx:value_order> </PDBx:chem_comp_bond> <PDBx:chem_comp_bond atom_id_1="O08" atom_id_2="H1" comp_id="OL9"> <PDBx:pdbx_aromatic_flag>N</PDBx:pdbx_aromatic_flag> <PDBx:pdbx_ordinal>52</PDBx:pdbx_ordinal> <PDBx:pdbx_stereo_config>N</PDBx:pdbx_stereo_config> <PDBx:value_order>sing</PDBx:value_order> </PDBx:chem_comp_bond> </PDBx:chem_comp_bondCategory> <PDBx:pdbx_chem_comp_auditCategory> <PDBx:pdbx_chem_comp_audit action_type="Create component" comp_id="OL9" date="2023-08-23"> <PDBx:processing_site>PDBC</PDBx:processing_site> </PDBx:pdbx_chem_comp_audit> <PDBx:pdbx_chem_comp_audit action_type="Initial release" comp_id="OL9" date="2024-08-14"> <PDBx:processing_site>RCSB</PDBx:processing_site> </PDBx:pdbx_chem_comp_audit> <PDBx:pdbx_chem_comp_audit action_type="Modify name" comp_id="OL9" date="2024-11-11"> <PDBx:processing_site>PDBC</PDBx:processing_site> </PDBx:pdbx_chem_comp_audit> <PDBx:pdbx_chem_comp_audit action_type="Modify synonyms" comp_id="OL9" date="2024-11-11"> <PDBx:processing_site>PDBC</PDBx:processing_site> </PDBx:pdbx_chem_comp_audit> </PDBx:pdbx_chem_comp_auditCategory> <PDBx:pdbx_chem_comp_descriptorCategory> <PDBx:pdbx_chem_comp_descriptor comp_id="OL9" program="InChI" program_version="1.06" type="InChI"> <PDBx:descriptor>InChI=1S/C21H21ClF2O4S/c22-15-2-5-17(6-3-15)29(27,28)21(18-13-16(23)4-7-19(18)24)11-9-14(10-12-21)1-8-20(25)26/h2-7,13-14H,1,8-12H2,(H,25,26)/t14-,21+</PDBx:descriptor> </PDBx:pdbx_chem_comp_descriptor> <PDBx:pdbx_chem_comp_descriptor comp_id="OL9" program="InChI" program_version="1.06" type="InChIKey"> <PDBx:descriptor>XCGJIFAKUZNNOR-QCKZDCLWSA-N</PDBx:descriptor> </PDBx:pdbx_chem_comp_descriptor> <PDBx:pdbx_chem_comp_descriptor comp_id="OL9" program="CACTVS" program_version="3.385" type="SMILES_CANONICAL"> <PDBx:descriptor>OC(=O)CC[C@@H]1CC[C@](CC1)(c2cc(F)ccc2F)[S](=O)(=O)c3ccc(Cl)cc3</PDBx:descriptor> </PDBx:pdbx_chem_comp_descriptor> <PDBx:pdbx_chem_comp_descriptor comp_id="OL9" program="CACTVS" program_version="3.385" type="SMILES"> <PDBx:descriptor>OC(=O)CC[CH]1CC[C](CC1)(c2cc(F)ccc2F)[S](=O)(=O)c3ccc(Cl)cc3</PDBx:descriptor> </PDBx:pdbx_chem_comp_descriptor> <PDBx:pdbx_chem_comp_descriptor comp_id="OL9" program="OpenEye OEToolkits" program_version="2.0.7" type="SMILES_CANONICAL"> <PDBx:descriptor>c1cc(ccc1S(=O)(=O)C2(CCC(CC2)CCC(=O)O)c3cc(ccc3F)F)Cl</PDBx:descriptor> </PDBx:pdbx_chem_comp_descriptor> <PDBx:pdbx_chem_comp_descriptor comp_id="OL9" program="OpenEye OEToolkits" program_version="2.0.7" type="SMILES"> <PDBx:descriptor>c1cc(ccc1S(=O)(=O)C2(CCC(CC2)CCC(=O)O)c3cc(ccc3F)F)Cl</PDBx:descriptor> </PDBx:pdbx_chem_comp_descriptor> </PDBx:pdbx_chem_comp_descriptorCategory> <PDBx:pdbx_chem_comp_identifierCategory> <PDBx:pdbx_chem_comp_identifier comp_id="OL9" program="OpenEye OEToolkits" program_version="2.0.7" type="SYSTEMATIC NAME"> <PDBx:identifier>3-[4-[2,5-bis(fluoranyl)phenyl]-4-(4-chlorophenyl)sulfonyl-cyclohexyl]propanoic acid</PDBx:identifier> </PDBx:pdbx_chem_comp_identifier> </PDBx:pdbx_chem_comp_identifierCategory> </PDBx:datablock>