# data_comp_list loop_ _chem_comp.id _chem_comp.three_letter_code _chem_comp.name _chem_comp.group _chem_comp.number_atoms_all _chem_comp.number_atoms_nh _chem_comp.desc_level CAM . 'CAMPHOR ' non-polymer 27 11 . # data_comp_CAM # loop_ _chem_comp_atom.comp_id _chem_comp_atom.atom_id _chem_comp_atom.type_symbol _chem_comp_atom.type_energy _chem_comp_atom.partial_charge CAM O O O 0.000 CAM C2 C C 0.000 CAM C1 C CT 0.000 CAM C10 C CH3 0.000 CAM H103 H HCH3 0.000 CAM H102 H HCH3 0.000 CAM H101 H HCH3 0.000 CAM C3 C CH2 0.000 CAM H31 H HCH2 0.000 CAM H32 H HCH2 0.000 CAM C4 C CH1 0.000 CAM H4 H HCH1 0.000 CAM C7 C CT 0.000 CAM C9 C CH3 0.000 CAM H93 H HCH3 0.000 CAM H92 H HCH3 0.000 CAM H91 H HCH3 0.000 CAM C8 C CH3 0.000 CAM H83 H HCH3 0.000 CAM H82 H HCH3 0.000 CAM H81 H HCH3 0.000 CAM C5 C CH2 0.000 CAM H51 H HCH2 0.000 CAM H52 H HCH2 0.000 CAM C6 C CH2 0.000 CAM H62 H HCH2 0.000 CAM H61 H HCH2 0.000 loop_ _chem_comp_tree.comp_id _chem_comp_tree.atom_id _chem_comp_tree.atom_back _chem_comp_tree.atom_forward _chem_comp_tree.connect_type CAM O n/a C2 START CAM C2 O C3 . CAM C1 C2 C10 . CAM C10 C1 H101 . CAM H103 C10 . . CAM H102 C10 . . CAM H101 C10 . . CAM C3 C2 C4 . CAM H31 C3 . . CAM H32 C3 . . CAM C4 C3 C5 . CAM H4 C4 . . CAM C7 C4 C8 . CAM C9 C7 H91 . CAM H93 C9 . . CAM H92 C9 . . CAM H91 C9 . . CAM C8 C7 H81 . CAM H83 C8 . . CAM H82 C8 . . CAM H81 C8 . . CAM C5 C4 C6 . CAM H51 C5 . . CAM H52 C5 . . CAM C6 C5 H61 . CAM H62 C6 . . CAM H61 C6 . END CAM C1 C6 . ADD CAM C1 C7 . ADD loop_ _chem_comp_bond.comp_id _chem_comp_bond.atom_id_1 _chem_comp_bond.atom_id_2 _chem_comp_bond.type _chem_comp_bond.value_dist _chem_comp_bond.value_dist_esd CAM C2 O coval 1.410 0.020 CAM C1 C2 coval 1.520 0.020 CAM C1 C6 coval 1.524 0.020 CAM C1 C7 coval 1.524 0.020 CAM C10 C1 coval 1.524 0.020 CAM H103 C10 coval 1.090 0.020 CAM H102 C10 coval 1.090 0.020 CAM H101 C10 coval 1.090 0.020 CAM C3 C2 coval 1.510 0.020 CAM H31 C3 coval 1.090 0.020 CAM H32 C3 coval 1.090 0.020 CAM C4 C3 coval 1.524 0.020 CAM H4 C4 coval 1.090 0.020 CAM C7 C4 coval 1.524 0.020 CAM C9 C7 coval 1.524 0.020 CAM H93 C9 coval 1.090 0.020 CAM H92 C9 coval 1.090 0.020 CAM H91 C9 coval 1.090 0.020 CAM C8 C7 coval 1.524 0.020 CAM H83 C8 coval 1.090 0.020 CAM H82 C8 coval 1.090 0.020 CAM H81 C8 coval 1.090 0.020 CAM C5 C4 coval 1.524 0.020 CAM H51 C5 coval 1.090 0.020 CAM H52 C5 coval 1.090 0.020 CAM C6 C5 coval 1.524 0.020 CAM H62 C6 coval 1.090 0.020 CAM H61 C6 coval 1.090 0.020 loop_ _chem_comp_angle.comp_id _chem_comp_angle.atom_id_1 _chem_comp_angle.atom_id_2 _chem_comp_angle.atom_id_3 _chem_comp_angle.value_angle _chem_comp_angle.value_angle_esd CAM O C2 C1 120.500 3.000 CAM O C2 C3 120.500 3.000 CAM C1 C2 C3 120.000 3.000 CAM C2 C1 C10 109.470 3.000 CAM C2 C1 C6 109.470 3.000 CAM C2 C1 C7 111.000 3.000 CAM C6 C1 C7 111.000 3.000 CAM C10 C1 C6 111.000 3.000 CAM C10 C1 C7 111.000 3.000 CAM C1 C10 H103 109.470 3.000 CAM C1 C10 H102 109.470 3.000 CAM C1 C10 H101 109.470 3.000 CAM H103 C10 H102 109.470 3.000 CAM H103 C10 H101 109.470 3.000 CAM H102 C10 H101 109.470 3.000 CAM C2 C3 H31 109.470 3.000 CAM C2 C3 H32 109.470 3.000 CAM C2 C3 C4 109.470 3.000 CAM H31 C3 H32 107.900 3.000 CAM H31 C3 C4 109.470 3.000 CAM H32 C3 C4 109.470 3.000 CAM C3 C4 H4 108.340 3.000 CAM C3 C4 C7 111.000 3.000 CAM C3 C4 C5 109.470 3.000 CAM H4 C4 C7 108.340 3.000 CAM H4 C4 C5 108.340 3.000 CAM C7 C4 C5 111.000 3.000 CAM C4 C7 C9 111.000 3.000 CAM C4 C7 C8 111.000 3.000 CAM C4 C7 C1 111.000 3.000 CAM C9 C7 C8 111.000 3.000 CAM C9 C7 C1 111.000 3.000 CAM C8 C7 C1 111.000 3.000 CAM C7 C9 H93 109.470 3.000 CAM C7 C9 H92 109.470 3.000 CAM C7 C9 H91 109.470 3.000 CAM H93 C9 H92 109.470 3.000 CAM H93 C9 H91 109.470 3.000 CAM H92 C9 H91 109.470 3.000 CAM C7 C8 H83 109.470 3.000 CAM C7 C8 H82 109.470 3.000 CAM C7 C8 H81 109.470 3.000 CAM H83 C8 H82 109.470 3.000 CAM H83 C8 H81 109.470 3.000 CAM H82 C8 H81 109.470 3.000 CAM C4 C5 H51 109.470 3.000 CAM C4 C5 H52 109.470 3.000 CAM C4 C5 C6 111.000 3.000 CAM H51 C5 H52 107.900 3.000 CAM H51 C5 C6 109.470 3.000 CAM H52 C5 C6 109.470 3.000 CAM C5 C6 H62 109.470 3.000 CAM C5 C6 H61 109.470 3.000 CAM C5 C6 C1 111.000 3.000 CAM H62 C6 H61 107.900 3.000 CAM H62 C6 C1 109.470 3.000 CAM H61 C6 C1 109.470 3.000 loop_ _chem_comp_tor.comp_id _chem_comp_tor.id _chem_comp_tor.atom_id_1 _chem_comp_tor.atom_id_2 _chem_comp_tor.atom_id_3 _chem_comp_tor.atom_id_4 _chem_comp_tor.value_angle _chem_comp_tor.value_angle_esd _chem_comp_tor.period CAM var_1 O C2 C1 C10 26.451 20.000 1 CAM var_2 O C2 C1 C6 -108.316 20.000 1 CAM var_3 O C2 C1 C7 145.476 20.000 1 CAM var_4 C2 C1 C10 H101 0.000 20.000 1 CAM var_5 O C2 C3 C4 -179.881 20.000 3 CAM var_6 C2 C3 C4 C5 -68.227 20.000 3 CAM var_7 C3 C4 C7 C8 57.879 20.000 1 CAM var_8 C3 C4 C7 C1 -58.763 20.000 1 CAM var_9 C4 C7 C9 H91 0.000 20.000 1 CAM var_10 C4 C7 C8 H81 0.000 20.000 1 CAM var_11 C3 C4 C5 C6 77.120 20.000 3 CAM var_12 C4 C5 C6 C1 -4.483 20.000 3 loop_ _chem_comp_plane_atom.comp_id _chem_comp_plane_atom.plane_id _chem_comp_plane_atom.atom_id _chem_comp_plane_atom.dist_esd CAM plan-1 C2 0.020 CAM plan-1 C1 0.020 CAM plan-1 O 0.020 CAM plan-1 C3 0.020