3D structure

https://doi.org/10.1351/goldbook.11402
The structure of the conformation of a molecule presented as a drawing or a file that describes atomic symbols of its atoms and the bonds connecting them as well as their coordinates in three-dimensional space.
Source:
PAC, 2016, 88, 239. (Glossary of terms used in computational drug design, part II (IUPAC Recommendations 2015)) on page 240 [Terms] [Paper]