XMol XYZ File Format

1. The first line contains the number of atoms in the molecule.
2. The second line contains the name or title of the molecule. It can be blank if desired.
3. The rest of the file is composed of one line for each atom in the molecule. Each atom is designated by the atomic number and then the x, y, and z coordinate value. Separate each value by at least 1 space; there is no strict format for these lines.

   As an example, below is the entire file for toluene:

   15 Toluene form the Cambridge Crystallographic Database C 1.58890 -1.44870 -0.47000 C 1.54300 -2.25990 0.77910 C 2.21440 -3.47410 0.88040 C 2.16940 -4.22350 2.03080 C 1.45120 -3.77740 3.11890 C 0.77320 -2.58240 3.03840 C 0.82440 -1.82660 1.89060 H 2.40210 -1.69480 -0.94010 H 0.81370 -1.61080 -1.10630 H 1.55340 -0.51550 -0.20780 H 2.79760 -3.75410 0.13240 H 2.62530 -5.03180 2.07500 H 1.44160 -4.26200 3.93440 H 0.18740 -2.32460 3.76300 H 0.34860 -0.96230 1.79710