E.6. MDL Molfile

A MDL Molfile is a file format created by MDL for holding data about the atoms, bonds, connectivity and coordinates of a molecule. This file format consists of some header information, the Connection Table (CT) containing atom info, then bond connections and types, followed by sections for more complex information. The format is described on the MDLI Website. There is two versions of MDL Molfile:

E.6.1. V2000

It is the current standard. However, it presents a limitation, as it support up to 999 atoms or bonds.

E.6.2. V3000

The V3000 format has been created to support more than 999 atoms or bonds. It can be useful for describing proteins and polymers.