STRUCTURED FILE V0.1 BINARY_BE MOLECULE_TRAJECTORY_1 TYPE struct { atoms : array of struct{ id : integer*4; type : integer*4; name : string; number : integer*4; periodic_row : integer*4; mass : real*4; charge : real*4; partial_bond_charge_increment : real*4[ 2]; radius : real*4; N_i : real*4; A_i : real*4; g_i : real*4; alpha : real*4; datyp : string; properties : integer*4[ 8]; equivalence : integer*4[ 4]; }; bonds : array of struct{ components : integer*4[ 2]; parameter : real*4[ 3]; type : integer*4; }; angles : array of struct{ components : integer*4[ 3]; parameter : real*4[ 2]; type : integer*4; }; bond_angles : array of struct{ components : integer*4[ 3]; parameter : real*4[ 2]; type : integer*4; }; imp_dihedrals : array of struct{ components : integer*4[ 4]; parameter : real*4; }; dihedrals : array of struct{ components : integer*4[ 4]; parameter : real*4[ 3]; type : integer*4; }; aromatic_atoms : array of struct{ name : string[ 2]; properties : integer*4[ 5]; }; }; DATA; CR A@-?\@\)@x??ff-C=C A@- =q?\@\)@x??-CSP2 A@- =q?\@\)@x??-CGD A@- =q?\@\)@x??-C=O A@-\?\@\)@x??-C=N A@-\?\@\)@x??-C=OR A@-\?\@\)@x??-C=ON A@-\?\@\)@x??-COO A@-\?\@\)@x??- COON A@-\?\@\)@x??- COOO A@-\?\@\)@x??- C=OS A@-\?\@\)@x??- C=S A@-\?\@\)@x??- C=SN A@-\?\@\)@x??-CSO2 A@-\?\@\)@x??-CSP A@-L?\@\)@x??ff-=C= A@-L?\@\)@x??ff-HC ?j??L@ff?>-HSI ?j??L@ff?>-HP ?j??L@ff?>-OR Ax?=q@I@x??333AOH2 Ax?=q@I@x??333AOC=O Ax?=q@I@x??333AOC=C Ax?=q@I@x??333AOC=N Ax?=q@I@x??333AOSO3 Ax?=q@I@x??333AOSO2 Ax?=q@I@x??333AOSO Ax?=q@I@x??333A-OS Ax?=q@I@x??333AOPO3 Ax?=q@I@x??333AOPO2 Ax?=q@I@x??333AOPO Ax?=q@I@x??333A -OP Ax?=q@I@x??333A!-O- Ax?=q@I@x??333A"O=C A/;?=q@I@x??&ffA#O=CN A/;?=q@I@x??&ffA$O=CR A/;?=q@I@x??&ffA%O=CO A/;?=q@I@x??&ffA&O=S A/;?=q@I@x??&ffA'O=N A/;?=q@I@x??&ffA(NR A`Y7?@4z@x??33A)N=C A`Y?ff@4z@x??fffA *N=N A`Y?ff@4z@x??fffA + NC=O A`Yy#?ff@4z@x??A , NC=S A`Yy#?ff@4z@x??A - NN=C A`Yy#?ff@4z@x??A . 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