| struct Batomtype { | |
| Batomtype* next; | // Link to next atom type if not NULL |
| int z; | // Atomic number |
| char el[4]; | // Element |
| char name[8]; | // Atom name |
| float mass; | // Atomic mass |
| float oxid; | // Oxidation state |
| float bond; | // Bond length |
| float vdw; | // VdW radius |
| unsigned char color[4]; | // RGBA colour |
| float sfa[5]; | // Cromer-Mann coefficients |
| float sfb[5]; | |
| float sfc; | |
| long number; | // Number of this type |
| } ; |