Datasets:
| RDKit 3D | |
| 3 2 0 0 0 0 0 0 0 0999 V2000 | |
| 1.2108 -0.1749 -0.3716 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.0339 -0.1891 0.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.2364 0.3176 -0.0729 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1 2 1 0 | |
| 2 3 1 0 | |
| M END | |
| $$$$ | |
| RDKit 3D | |
| 3 2 0 0 0 0 0 0 0 0999 V2000 | |
| 1.2108 -0.1749 -0.3716 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.0339 -0.1891 0.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.2364 0.3176 -0.0729 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1 2 1 0 | |
| 2 3 1 0 | |
| M END | |
| $$$$ | |