# Example XYZ Files

These are pre-generated 3D coordinate files for the example molecules. You can upload these files using the "Upload XYZ File" button in the application.

## Files

| File | Molecule | SMILES |
|------|----------|--------|
| ethanol.xyz | Ethanol | CCO |
| aspirin.xyz | Aspirin | CC(=O)Oc1ccccc1C(=O)O |
| caffeine.xyz | Caffeine | CN1C=NC2=C1C(=O)N(C(=O)N2C)C |
| ibuprofen.xyz | Ibuprofen | CC(C)CC1=CC=C(C=C1)C(C)C(=O)O |

## XYZ File Format

The XYZ file format consists of:
1. First line: Number of atoms
2. Second line: Comment/description
3. Subsequent lines: Atom data (element x y z)

Example:
```
9
Ethanol (CCO) - 3D structure
C   0.0000   0.0000   0.0000
C   1.4300   0.0000   0.0000
O   1.9000   1.3650   0.0000
...
```

## Usage

Click "Upload XYZ File" and select any .xyz file from this directory to visualize it in 3D.