import 'forcefield.lt' unit inherits OPLSAA { write("Data Atoms") { $atom:O1 $mol:... @atom:408 -0.32 48.473 48.069 35.992 # "Dialkyl Ether -O-" $atom:C2 $mol:... @atom:406 0.52 47.326 48.427 35.492 # "Ester -COOR" $atom:C3 $mol:... @atom:842 -0.09 47.025 49.858 35.830 # "Aromatic C" $atom:O4 $mol:... @atom:407 -0.42 46.597 47.678 34.877 # "Ester C=O" $atom:C5 $mol:... @atom:665 0.16 46.244 50.716 35.026 # "Aromatic C" $atom:C6 $mol:... @atom:90 -0.105 47.525 50.333 37.044 # "Aromatic C" $atom:C7 $mol:... @atom:90 -0.105 46.002 52.017 35.473 # "Aromatic C" $atom:C8 $mol:... @atom:792 0.25 45.671 50.256 33.691 # "Perfluoroalkane -CF2-" $atom:C9 $mol:... @atom:665 0.16 47.261 51.626 37.492 # "Aromatic C" $atom:H10 $mol:... @atom:91 0.125 48.131 49.672 37.649 # "Aromatic H-C" $atom:C11 $mol:... @atom:842 -0.09 46.495 52.481 36.695 # "Aromatic C" $atom:H12 $mol:... @atom:91 0.125 45.423 52.705 34.878 # "Aromatic H-C" $atom:F13 $mol:... @atom:795 -0.11 44.654 49.367 33.893 # "Perfluoroalkane C-F" $atom:F14 $mol:... @atom:795 -0.11 46.637 49.641 32.943 # "Perfluoroalkane C-F" $atom:C15 $mol:... @atom:792 0.25 45.062 51.355 32.764 # "Trifluoroanisole -OCF3" $atom:C16 $mol:... @atom:792 0.25 47.819 52.043 38.833 # "Perfluoroalkane -CF2-" $atom:C17 $mol:... @atom:406 0.52 46.094 53.887 37.080 # "Ester -COOR" $atom:O18 $mol:... @atom:122 -0.39 44.697 50.756 31.571 # "Dialkyl Ether -O-" $atom:F19 $mol:... @atom:795 -0.11 43.998 51.930 33.380 # "Perfluoroalkane C-F" $atom:F20 $mol:... @atom:795 -0.11 45.974 52.326 32.525 # "Perfluoroalkane C-F" $atom:F21 $mol:... @atom:795 -0.11 47.903 53.404 38.929 # "Perfluoroalkane C-F" $atom:F22 $mol:... @atom:795 -0.11 49.079 51.544 39.002 # "Perfluoroalkane C-F" $atom:C23 $mol:... @atom:792 0.25 46.977 51.552 40.049 # "Trifluoroanisole -OCF3" $atom:O24 $mol:... @atom:408 -0.32 46.858 54.911 36.672 # "Ester CO-O-R" $atom:O25 $mol:... @atom:407 -0.42 45.061 54.105 37.675 # "Ester C=O" $atom:C26 $mol:... @atom:792 0.25 43.576 51.190 30.889 # "Perfluoroalkane -CF2-" $atom:F27 $mol:... @atom:795 -0.11 45.701 51.977 39.910 # "Perfluoroalkane C-F" $atom:F28 $mol:... @atom:795 -0.11 46.953 50.197 40.059 # "Perfluoroalkane C-F" $atom:O29 $mol:... @atom:122 -0.39 47.546 52.066 41.194 # "Dialkyl Ether -O-" $atom:C30 $mol:... @atom:124 0.15 48.154 54.726 36.062 # "Ethyl Ether -CH2OR" $atom:C31 $mol:... @atom:907 0.36 43.625 50.587 29.454 # "tfsi- C" $atom:F32 $mol:... @atom:795 -0.11 43.537 52.540 30.807 # "Perfluoroalkane C-F" $atom:F33 $mol:... @atom:795 -0.11 42.448 50.781 31.519 # "Perfluoroalkane C-F" $atom:C34 $mol:... @atom:792 0.25 47.271 51.523 42.438 # "Trifluoroanisole -OCF3" $atom:H35 $mol:... @atom:85 0.07 48.890 55.164 36.737 # "Alkane H-C" $atom:H36 $mol:... @atom:85 0.07 48.382 53.672 35.914 # "Alkane H-C" $atom:C37 $mol:... @atom:80 -0.17 48.137 55.474 34.716 # "Alkane CH3-" $atom:F38 $mol:... @atom:908 -0.15 44.001 49.295 29.524 # "tfsi- F" $atom:F39 $mol:... @atom:908 -0.15 44.537 51.276 28.740 # "tfsi- F" $atom:S40 $mol:... @atom:909 1.03 41.958 50.673 28.548 # "tfsi- S" $atom:F41 $mol:... @atom:795 -0.11 48.002 50.403 42.638 # "Perfluoroalkane C-F" $atom:F42 $mol:... @atom:795 -0.11 45.969 51.191 42.560 # "Perfluoroalkane C-F" $atom:C43 $mol:... @atom:907 0.36 47.651 52.603 43.489 # "tfsi- C" $atom:H44 $mol:... @atom:85 0.07 48.635 54.886 33.974 # "Alkane H-C" $atom:H45 $mol:... @atom:85 0.07 47.124 55.644 34.414 # "Alkane H-C" $atom:N46 $mol:... @atom:911 -0.65 42.347 50.311 27.034 # "tfsi- N" $atom:O47 $mol:... @atom:910 -0.52 41.186 49.555 29.106 # "tfsi- O" $atom:O48 $mol:... @atom:910 -0.52 41.489 52.052 28.770 # "tfsi- O" $atom:F49 $mol:... @atom:908 -0.15 48.911 53.021 43.237 # "tfsi- F" $atom:F50 $mol:... @atom:908 -0.15 46.806 53.648 43.333 # "tfsi- F" $atom:S51 $mol:... @atom:909 1.03 47.568 52.042 45.299 # "tfsi- S" $atom:S52 $mol:... @atom:909 1.03 42.606 51.432 25.894 # "tfsi- S" $atom:N53 $mol:... @atom:911 -0.65 47.717 53.410 46.134 # "tfsi- N" $atom:O54 $mol:... @atom:910 -0.52 48.667 51.078 45.456 # "tfsi- O" $atom:O55 $mol:... @atom:910 -0.52 46.185 51.578 45.463 # "tfsi- O" $atom:O56 $mol:... @atom:910 -0.52 41.481 52.358 25.663 # "tfsi- O" $atom:O57 $mol:... @atom:910 -0.52 43.962 52.004 25.878 # "tfsi- O" $atom:C58 $mol:... @atom:907 0.36 42.557 50.245 24.437 # "tfsi- C" $atom:S59 $mol:... @atom:909 1.03 49.124 54.091 46.554 # "tfsi- S" $atom:F60 $mol:... @atom:908 -0.15 41.363 49.641 24.349 # "tfsi- F" $atom:F61 $mol:... @atom:908 -0.15 43.512 49.314 24.525 # "tfsi- F" $atom:F62 $mol:... @atom:908 -0.15 42.755 50.963 23.318 # "tfsi- F" $atom:O63 $mol:... @atom:910 -0.52 50.343 53.556 45.933 # "tfsi- O" $atom:O64 $mol:... @atom:910 -0.52 49.132 54.357 48.001 # "tfsi- O" $atom:C65 $mol:... @atom:907 0.36 48.895 55.795 45.788 # "tfsi- C" $atom:F66 $mol:... @atom:908 -0.15 49.953 56.559 46.108 # "tfsi- F" $atom:F67 $mol:... @atom:908 -0.15 48.816 55.708 44.454 # "tfsi- F" $atom:F68 $mol:... @atom:908 -0.15 47.784 56.384 46.252 # "tfsi- F" } write("Data Bond List"){ $bond:O1C2 $atom:O1 $atom:C2 $bond:C2C3 $atom:C2 $atom:C3 $bond:C2O4 $atom:C2 $atom:O4 $bond:C3C5 $atom:C3 $atom:C5 $bond:C3C6 $atom:C3 $atom:C6 $bond:C5C7 $atom:C5 $atom:C7 $bond:C5C8 $atom:C5 $atom:C8 $bond:C6C9 $atom:C6 $atom:C9 $bond:C6H10 $atom:C6 $atom:H10 $bond:C7C11 $atom:C7 $atom:C11 $bond:C7H12 $atom:C7 $atom:H12 $bond:C8F13 $atom:C8 $atom:F13 $bond:C8F14 $atom:C8 $atom:F14 $bond:C8C15 $atom:C8 $atom:C15 $bond:C9C11 $atom:C9 $atom:C11 $bond:C9C16 $atom:C9 $atom:C16 $bond:C11C17 $atom:C11 $atom:C17 $bond:C15O18 $atom:C15 $atom:O18 $bond:C15F19 $atom:C15 $atom:F19 $bond:C15F20 $atom:C15 $atom:F20 $bond:C16F21 $atom:C16 $atom:F21 $bond:C16F22 $atom:C16 $atom:F22 $bond:C16C23 $atom:C16 $atom:C23 $bond:C17O24 $atom:C17 $atom:O24 $bond:C17O25 $atom:C17 $atom:O25 $bond:O18C26 $atom:O18 $atom:C26 $bond:C23F27 $atom:C23 $atom:F27 $bond:C23F28 $atom:C23 $atom:F28 $bond:C23O29 $atom:C23 $atom:O29 $bond:O24C30 $atom:O24 $atom:C30 $bond:C26F32 $atom:C26 $atom:F32 $bond:C26F33 $atom:C26 $atom:F33 $bond:O29C34 $atom:O29 $atom:C34 $bond:C30H35 $atom:C30 $atom:H35 $bond:C30H36 $atom:C30 $atom:H36 $bond:C30C37 $atom:C30 $atom:C37 $bond:C34F41 $atom:C34 $atom:F41 $bond:C34F42 $atom:C34 $atom:F42 $bond:C37H44 $atom:C37 $atom:H44 $bond:C37H45 $atom:C37 $atom:H45 } write("Data Bonds") { $bond:C26C31 @bond:792_907 $atom:C26 $atom:C31 $bond:C31F38 @bond:907_908 $atom:C31 $atom:F38 $bond:C31F39 @bond:907_908 $atom:C31 $atom:F39 $bond:C31S40 @bond:907_909 $atom:C31 $atom:S40 $bond:C34C43 @bond:792_907 $atom:C34 $atom:C43 $bond:S40N46 @bond:909_911 $atom:S40 $atom:N46 $bond:S40O47 @bond:909_910 $atom:S40 $atom:O47 $bond:S40O48 @bond:909_910 $atom:S40 $atom:O48 $bond:C43F49 @bond:907_908 $atom:C43 $atom:F49 $bond:C43F50 @bond:907_908 $atom:C43 $atom:F50 $bond:C43S51 @bond:907_909 $atom:C43 $atom:S51 $bond:N46S52 @bond:911_909 $atom:N46 $atom:S52 $bond:S51N53 @bond:909_911 $atom:S51 $atom:N53 $bond:S51O54 @bond:909_910 $atom:S51 $atom:O54 $bond:S51O55 @bond:909_910 $atom:S51 $atom:O55 $bond:S52O56 @bond:909_910 $atom:S52 $atom:O56 $bond:S52O57 @bond:909_910 $atom:S52 $atom:O57 $bond:S52C58 @bond:909_907 $atom:S52 $atom:C58 $bond:N53S59 @bond:911_909 $atom:N53 $atom:S59 $bond:C58F60 @bond:907_908 $atom:C58 $atom:F60 $bond:C58F61 @bond:907_908 $atom:C58 $atom:F61 $bond:C58F62 @bond:907_908 $atom:C58 $atom:F62 $bond:S59O63 @bond:909_910 $atom:S59 $atom:O63 $bond:S59O64 @bond:909_910 $atom:S59 $atom:O64 $bond:S59C65 @bond:909_907 $atom:S59 $atom:C65 $bond:C65F66 @bond:907_908 $atom:C65 $atom:F66 $bond:C65F67 @bond:907_908 $atom:C65 $atom:F67 $bond:C65F68 @bond:907_908 $atom:C65 $atom:F68 } write("Data Angles") { $angle:O18C26C31 @angle:122_792_907 $atom:O18 $atom:C26 $atom:C31 $angle:C31C26F32 @angle:907_792_795 $atom:C31 $atom:C26 $atom:F32 $angle:C31C26F33 @angle:907_792_795 $atom:C31 $atom:C26 $atom:F33 $angle:C26C31F38 @angle:792_907_908 $atom:C26 $atom:C31 $atom:F38 $angle:C26C31F39 @angle:792_907_908 $atom:C26 $atom:C31 $atom:F39 $angle:C26C31S40 @angle:792_907_909 $atom:C26 $atom:C31 $atom:S40 $angle:F38C31F39 @angle:908_907_908 $atom:F38 $atom:C31 $atom:F39 $angle:F38C31S40 @angle:908_907_909 $atom:F38 $atom:C31 $atom:S40 $angle:F39C31S40 @angle:908_907_909 $atom:F39 $atom:C31 $atom:S40 $angle:O29C34C43 @angle:122_792_907 $atom:O29 $atom:C34 $atom:C43 $angle:F41C34C43 @angle:795_792_907 $atom:F41 $atom:C34 $atom:C43 $angle:F42C34C43 @angle:795_792_907 $atom:F42 $atom:C34 $atom:C43 $angle:C31S40N46 @angle:907_909_911 $atom:C31 $atom:S40 $atom:N46 $angle:C31S40O47 @angle:907_909_910 $atom:C31 $atom:S40 $atom:O47 $angle:C31S40O48 @angle:907_909_910 $atom:C31 $atom:S40 $atom:O48 $angle:N46S40O47 @angle:911_909_910 $atom:N46 $atom:S40 $atom:O47 $angle:N46S40O48 @angle:911_909_910 $atom:N46 $atom:S40 $atom:O48 $angle:O47S40O48 @angle:910_909_910 $atom:O47 $atom:S40 $atom:O48 $angle:C34C43F49 @angle:792_907_908 $atom:C34 $atom:C43 $atom:F49 $angle:C34C43F50 @angle:792_907_908 $atom:C34 $atom:C43 $atom:F50 $angle:C34C43S51 @angle:792_907_909 $atom:C34 $atom:C43 $atom:S51 $angle:F49C43F50 @angle:908_907_908 $atom:F49 $atom:C43 $atom:F50 $angle:F49C43S51 @angle:908_907_909 $atom:F49 $atom:C43 $atom:S51 $angle:F50C43S51 @angle:908_907_909 $atom:F50 $atom:C43 $atom:S51 $angle:S40N46S52 @angle:909_911_909 $atom:S40 $atom:N46 $atom:S52 $angle:C43S51N53 @angle:907_909_911 $atom:C43 $atom:S51 $atom:N53 $angle:C43S51O54 @angle:907_909_910 $atom:C43 $atom:S51 $atom:O54 $angle:C43S51O55 @angle:907_909_910 $atom:C43 $atom:S51 $atom:O55 $angle:N53S51O54 @angle:911_909_910 $atom:N53 $atom:S51 $atom:O54 $angle:N53S51O55 @angle:911_909_910 $atom:N53 $atom:S51 $atom:O54 $angle:O54S51O55 @angle:910_909_910 $atom:O54 $atom:S51 $atom:O55 $angle:N46S52O56 @angle:911_909_910 $atom:N46 $atom:S52 $atom:O56 $angle:N46S52O57 @angle:911_909_910 $atom:N46 $atom:S52 $atom:O57 $angle:N46S52C58 @angle:911_909_907 $atom:N46 $atom:S52 $atom:C58 $angle:O56S52O57 @angle:910_909_910 $atom:O56 $atom:S52 $atom:O57 $angle:O56S52C58 @angle:910_909_907 $atom:O56 $atom:S52 $atom:C58 $angle:O57S52C58 @angle:910_909_907 $atom:O57 $atom:S52 $atom:C58 $angle:S51N53S59 @angle:909_911_909 $atom:S51 $atom:N53 $atom:S59 $angle:S52C58F60 @angle:909_907_908 $atom:S52 $atom:C58 $atom:F60 $angle:S52C58F61 @angle:909_907_908 $atom:S52 $atom:C58 $atom:F61 $angle:S52C58F62 @angle:909_907_908 $atom:S52 $atom:C58 $atom:F62 $angle:F60C58F61 @angle:908_907_908 $atom:F60 $atom:C58 $atom:F61 $angle:F60C58F62 @angle:908_907_908 $atom:F60 $atom:C58 $atom:F62 $angle:F61C58F62 @angle:908_907_908 $atom:F61 $atom:C58 $atom:F62 $angle:N53S59O63 @angle:911_909_910 $atom:N53 $atom:S59 $atom:O63 $angle:N53S59O64 @angle:911_909_910 $atom:N53 $atom:S59 $atom:O64 $angle:N53S59C65 @angle:911_909_907 $atom:N53 $atom:S59 $atom:C65 $angle:O63S59O64 @angle:910_909_910 $atom:O63 $atom:S59 $atom:O64 $angle:O63S59C65 @angle:910_909_907 $atom:O63 $atom:S59 $atom:C65 $angle:O64S59C65 @angle:910_909_907 $atom:O64 $atom:S59 $atom:C65 $angle:S59C65F66 @angle:909_907_908 $atom:S59 $atom:C65 $atom:F66 $angle:S59C65F67 @angle:909_907_908 $atom:S59 $atom:C65 $atom:F67 $angle:S59C65F68 @angle:909_907_908 $atom:S59 $atom:C65 $atom:F68 $angle:F66C65F67 @angle:908_907_908 $atom:F66 $atom:C65 $atom:F67 $angle:F66C65F68 @angle:908_907_908 $atom:F66 $atom:C65 $atom:F68 $angle:F67C65F68 @angle:908_907_908 $atom:F67 $atom:C65 $atom:F68 } write("Data Dihedrals") { $dihedral:O18C26C31F38 @dihedral:122_792_907_908 $atom:O18 $atom:C26 $atom:C31 $atom:F38 $dihedral:O18C26C31F39 @dihedral:122_792_907_908 $atom:O18 $atom:C26 $atom:C31 $atom:F39 $dihedral:O18C26C31S40 @dihedral:122_792_907_909 $atom:O18 $atom:C26 $atom:C31 $atom:S40 $dihedral:C26C31S40N46 @dihedral:792_907_909_911 $atom:C26 $atom:C31 $atom:S40 $atom:N46 $dihedral:C26C31S40O47 @dihedral:792_907_909_910 $atom:C26 $atom:C31 $atom:S40 $atom:O47 $dihedral:C26C31S40O48 @dihedral:792_907_909_910 $atom:C26 $atom:C31 $atom:S40 $atom:O48 $dihedral:F32C26C31F38 @dihedral:795_792_907_908 $atom:F32 $atom:C26 $atom:C31 $atom:F38 $dihedral:F32C26C31F39 @dihedral:795_792_907_908 $atom:F32 $atom:C26 $atom:C31 $atom:F39 $dihedral:F32C26C31S40 @dihedral:795_792_907_909 $atom:F32 $atom:C26 $atom:C31 $atom:S40 $dihedral:F33C26C31F38 @dihedral:795_792_907_908 $atom:F33 $atom:C26 $atom:C31 $atom:F38 $dihedral:F33C26C31F39 @dihedral:795_792_907_908 $atom:F33 $atom:C26 $atom:C31 $atom:F39 $dihedral:F33C26C31S40 @dihedral:795_792_907_909 $atom:F33 $atom:C26 $atom:C31 $atom:S40 $dihedral:C34C43S51N53 @dihedral:792_907_909_911 $atom:C34 $atom:C43 $atom:S51 $atom:N53 $dihedral:C34C43S51O54 @dihedral:792_907_909_910 $atom:C34 $atom:C43 $atom:S51 $atom:O54 $dihedral:C34C43S51O55 @dihedral:792_907_909_910 $atom:C34 $atom:C43 $atom:S51 $atom:O55 $dihedral:F38C31S40N46 @dihedral:908_907_909_911 $atom:F38 $atom:C31 $atom:S40 $atom:N46 $dihedral:F38C31S40O47 @dihedral:908_907_909_910 $atom:F38 $atom:C31 $atom:S40 $atom:O47 $dihedral:F38C31S40O48 @dihedral:908_907_909_910 $atom:F38 $atom:C31 $atom:S40 $atom:O48 $dihedral:F39C31S40N46 @dihedral:908_907_909_911 $atom:F39 $atom:C31 $atom:S40 $atom:N46 $dihedral:F39C31S40O47 @dihedral:908_907_909_910 $atom:F39 $atom:C31 $atom:S40 $atom:O47 $dihedral:F39C31S40O48 @dihedral:908_907_909_910 $atom:F39 $atom:C31 $atom:S40 $atom:O48 $dihedral:S40N46S52O56 @dihedral:909_911_909_910 $atom:S40 $atom:N46 $atom:S52 $atom:O56 $dihedral:S40N46S52O57 @dihedral:909_911_909_910 $atom:S40 $atom:N46 $atom:S52 $atom:O57 $dihedral:S40N46S52C58 @dihedral:909_911_909_907 $atom:S40 $atom:N46 $atom:S52 $atom:C58 $dihedral:F41C34C43F49 @dihedral:795_792_907_908 $atom:F41 $atom:C34 $atom:C43 $atom:F49 $dihedral:F41C34C43F50 @dihedral:795_792_907_908 $atom:F41 $atom:C34 $atom:C43 $atom:F50 $dihedral:F41C34C43S51 @dihedral:795_792_907_909 $atom:F41 $atom:C34 $atom:C43 $atom:S51 $dihedral:F42C34C43F49 @dihedral:795_792_907_908 $atom:F42 $atom:C34 $atom:C43 $atom:F49 $dihedral:F42C34C43F50 @dihedral:795_792_907_908 $atom:F42 $atom:C34 $atom:C43 $atom:F50 $dihedral:F42C34C43S51 @dihedral:795_792_907_909 $atom:F42 $atom:C34 $atom:C43 $atom:S51 $dihedral:C43S51N53S59 @dihedral:907_909_911_909 $atom:C43 $atom:S51 $atom:N53 $atom:S59 $dihedral:N46S52C58F60 @dihedral:911_909_907_908 $atom:N46 $atom:S52 $atom:C58 $atom:F60 $dihedral:N46S52C58F61 @dihedral:911_909_907_908 $atom:N46 $atom:S52 $atom:C58 $atom:F61 $dihedral:N46S52C58F62 @dihedral:911_909_907_908 $atom:N46 $atom:S52 $atom:C58 $atom:F62 $dihedral:O47S40N46S52 @dihedral:910_909_911_909 $atom:O47 $atom:S40 $atom:N46 $atom:S52 $dihedral:O48S40N46S52 @dihedral:910_909_911_909 $atom:O48 $atom:S40 $atom:N46 $atom:S52 $dihedral:F49C43S51N53 @dihedral:908_907_909_911 $atom:F49 $atom:C43 $atom:S51 $atom:N53 $dihedral:F49C43S51O54 @dihedral:908_907_909_910 $atom:F49 $atom:C43 $atom:S51 $atom:O54 $dihedral:F49C43S51O55 @dihedral:908_907_909_910 $atom:F49 $atom:C43 $atom:S51 $atom:O55 $dihedral:F50C43S51N53 @dihedral:908_907_909_911 $atom:F50 $atom:C43 $atom:S51 $atom:N53 $dihedral:F50C43S51O54 @dihedral:908_907_909_910 $atom:F50 $atom:C43 $atom:S51 $atom:O54 $dihedral:F50C43S51O55 @dihedral:908_907_909_910 $atom:F50 $atom:C43 $atom:S51 $atom:O55 $dihedral:S51N53S59O63 @dihedral:909_911_909_910 $atom:S51 $atom:N53 $atom:S59 $atom:O63 $dihedral:S51N53S59O64 @dihedral:909_911_909_910 $atom:S51 $atom:N53 $atom:S59 $atom:O64 $dihedral:S51N53S59C65 @dihedral:909_911_909_907 $atom:S51 $atom:N53 $atom:S59 $atom:C65 $dihedral:N53S59C65F66 @dihedral:911_909_907_908 $atom:N53 $atom:S59 $atom:C65 $atom:F66 $dihedral:N53S59C65F67 @dihedral:911_909_907_908 $atom:N53 $atom:S59 $atom:C65 $atom:F67 $dihedral:N53S59C65F68 @dihedral:911_909_907_908 $atom:N53 $atom:S59 $atom:C65 $atom:F68 $dihedral:O54S51N53S59 @dihedral:910_909_911_909 $atom:O54 $atom:S51 $atom:N53 $atom:S59 $dihedral:O55S51N53S59 @dihedral:910_909_911_909 $atom:O55 $atom:S51 $atom:N53 $atom:S59 $dihedral:O56S52C58F60 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@dihedral:910_909_907_908 $atom:O64 $atom:S59 $atom:C65 $atom:F68 } }