typedef struct {
        char molecule[STRINGBUFFERSIZE];
        int na;
        int nc;
        int an[MAXIMUM_NUMBER_ATOMS];
        double rm[MAXIMUM_NUMBER_COORDINATES];
        double te;
        double cc[MAXIMUM_NUMBER_COORDINATES];
        double cg[MAXIMUM_NUMBER_COORDINATES];
        double cf[MAXIMUM_NUMBER_TRIANGULAR];
        double mcc[MAXIMUM_NUMBER_COORDINATES];
        double mcg[MAXIMUM_NUMBER_COORDINATES];
        double mcf[MAXIMUM_NUMBER_TRIANGULAR];
} FORCE;

