<spin_simulation>
	<version>2</version>
	<name>Cis-1-2-dihydronaphthalene-1-2-diol</name>
	<ID>bmse000655</ID>
	<SRC name="BMRB" ID="bmse000655"></SRC>
	<InChI>InChI=1S/C10H10O2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-6,9-12H/t9-,10+/m0/s1</InChI>
	<comp_db_link>
	</comp_db_link>
	<mol_file_path>./alatis_output_bmse000655.mol</mol_file_path>
	<experimental_spectrum>
		<type>Bruker</type>
		<root_folder>./1H/</root_folder>
	</experimental_spectrum>
	<field_strength>499.84</field_strength>
	<field_strength_applied_flag>1</field_strength_applied_flag>
	<num_simulation_points>32768</num_simulation_points>
	<num_simulation_points_applied_flag>1</num_simulation_points_applied_flag>
	<path_2D_image>./bmse000655_.jpg</path_2D_image>
	<num_split_matrices>0</num_split_matrices>
	<roi_rmsd>0.01512</roi_rmsd>
	<notes>
		<status>Done</status>
		<note>13?14                                                            </note>
		<note>15?16                                                            </note>
		<note>Strong coupling in aromatics (13,14)                             </note>
		<note>Used modified parameters for AB                                  </note>
	</notes>
	<coupling_matrix>
		<label>merged</label>
		<index>1</index>
		<lw>0.877</lw>
		<peak_shape_coefficients>
			<lorentzian>0.236</lorentzian>
			<gaussian>0.764</gaussian>
		</peak_shape_coefficients>
		<water_region>
			<min_ppm>4.75</min_ppm>
			<max_ppm>5.0000</max_ppm>
			<remove_flag>1</remove_flag>
		</water_region>
		<DSS_region>
			<min_ppm>-0.1000</min_ppm>
			<max_ppm>0.1000</max_ppm>
			<remove_flag>1</remove_flag>
		</DSS_region>
		<additional_coupling_constants>
		</additional_coupling_constants>
		<spin_names>
			<spin index="1" name="13"></spin>
			<spin index="2" name="14"></spin>
			<spin index="3" name="15"></spin>
			<spin index="4" name="20"></spin>
			<spin index="5" name="19"></spin>
			<spin index="6" name="18"></spin>
			<spin index="7" name="17"></spin>
			<spin index="8" name="16"></spin>
		</spin_names>
		<chemical_shifts_ppm>
			<cs index="1" ppm="7.33920"></cs>
			<cs index="2" ppm="7.36076"></cs>
			<cs index="3" ppm="7.23240"></cs>
			<cs index="4" ppm="4.71749"></cs>
			<cs index="5" ppm="4.46220"></cs>
			<cs index="6" ppm="6.02520"></cs>
			<cs index="7" ppm="6.61610"></cs>
			<cs index="8" ppm="7.46059"></cs>
		</chemical_shifts_ppm>
		<couplings_Hz>
			<coupling from_index="1" to_index="2" value="7.3459904"></coupling>
			<coupling from_index="1" to_index="3" value="1.0631097"></coupling>
			<coupling from_index="1" to_index="8" value="8.1824341"></coupling>
			<coupling from_index="2" to_index="3" value="7.6992188"></coupling>
			<coupling from_index="2" to_index="8" value="0.5465853"></coupling>
			<coupling from_index="4" to_index="5" value="4.6918176"></coupling>
			<coupling from_index="5" to_index="6" value="3.4361157"></coupling>
			<coupling from_index="5" to_index="7" value="0.9968006"></coupling>
			<coupling from_index="6" to_index="7" value="9.7417419"></coupling>
		</couplings_Hz>
		<peak_list>
		</peak_list>
		<spectrum>
		</spectrum>
	</coupling_matrix>
</spin_simulation>