<spin_simulation>
	<version>2</version>
	<name>Trimethyl Phosphate</name>
	<ID>bmse000774</ID>
	<InChI>InChI=1S/C3H9O4P/c1-5-8(4,6-2)7-3/h1-3H3</InChI>
	<mol_file_path>./alatis_output_bmse000774.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>./bmse000774_.jpg</path_2D_image>
	<num_split_matrices>0</num_split_matrices>
	<roi_rmsd>0.00736</roi_rmsd>
	<notes>
		<status>Done</status>
		<note>                                                                           </note>
		<note>Non-hydrogen additional coupling;                                          </note>
		<note>spin name(s):"9,10,11,12,13,14,15,16,17", coupling of "11.095923" with "P8"</note>
	</notes>
	<coupling_matrix>
		<label>merged</label>
		<index>1</index>
		<lw>1</lw>
		<peak_shape_coefficients>
			<lorentzian>0.8</lorentzian>
			<gaussian>0.2</gaussian>
		</peak_shape_coefficients>
		<water_region>
			<min_ppm>4.6</min_ppm>
			<max_ppm>5</max_ppm>
			<remove_flag>1</remove_flag>
		</water_region>
		<DSS_region>
			<min_ppm>-0.1</min_ppm>
			<max_ppm>0.1</max_ppm>
			<remove_flag>1</remove_flag>
		</DSS_region>
		<additional_coupling_constants>
			<acc spin_index="1" coupling="11.096" spin_group_index="1" coupling_group_index="1"></acc>
			<acc spin_index="2" coupling="11.096" spin_group_index="1" coupling_group_index="1"></acc>
			<acc spin_index="3" coupling="11.096" spin_group_index="1" coupling_group_index="1"></acc>
			<acc spin_index="4" coupling="11.096" spin_group_index="1" coupling_group_index="1"></acc>
			<acc spin_index="5" coupling="11.096" spin_group_index="1" coupling_group_index="1"></acc>
			<acc spin_index="6" coupling="11.096" spin_group_index="1" coupling_group_index="1"></acc>
			<acc spin_index="7" coupling="11.096" spin_group_index="1" coupling_group_index="1"></acc>
			<acc spin_index="8" coupling="11.096" spin_group_index="1" coupling_group_index="1"></acc>
			<acc spin_index="9" coupling="11.096" spin_group_index="1" coupling_group_index="1"></acc>
		</additional_coupling_constants>
		<spin_names>
			<spin index="1" name="9"></spin>
			<spin index="2" name="10"></spin>
			<spin index="3" name="11"></spin>
			<spin index="4" name="12"></spin>
			<spin index="5" name="13"></spin>
			<spin index="6" name="14"></spin>
			<spin index="7" name="15"></spin>
			<spin index="8" name="16"></spin>
			<spin index="9" name="17"></spin>
		</spin_names>
		<chemical_shifts_ppm>
			<cs index="1" ppm="3.80980"></cs>
			<cs index="2" ppm="3.80980"></cs>
			<cs index="3" ppm="3.80980"></cs>
			<cs index="4" ppm="3.80980"></cs>
			<cs index="5" ppm="3.80980"></cs>
			<cs index="6" ppm="3.80980"></cs>
			<cs index="7" ppm="3.80980"></cs>
			<cs index="8" ppm="3.80980"></cs>
			<cs index="9" ppm="3.80980"></cs>
		</chemical_shifts_ppm>
		<couplings_Hz>
			<coupling from_index="1" to_index="2" value="-12.4000000"></coupling>
			<coupling from_index="4" to_index="6" value="-12.4000000"></coupling>
			<coupling from_index="7" to_index="8" value="-12.4000000"></coupling>
		</couplings_Hz>
		<peak_list>
		</peak_list>
		<spectrum>
		</spectrum>
	</coupling_matrix>
</spin_simulation>