The MOL file format
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Open a .mol file or paste its text below.
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One structure, with coordinates
The MOL file (molfile) comes from MDL, now part of BIOVIA, and is described in its CTfile formats. It starts with three header lines: the structure’s name, the program that wrote it, and a comment. Then comes the connection table: a counts line, one line per atom (its x, y and z coordinates and element), one line per bond (the two atoms it joins, its order and its stereo flag), then property lines such as charges, and finally M END.
V2000 and V3000
V2000 uses fixed columns and allows at most 999 atoms and 999 bonds. V3000 writes each atom and bond as a line of named fields between M V30 BEGIN and END markers, with no such limit, and holds more, such as enhanced stereochemistry and multi-center bonds. Athanor reads both and writes V3000.
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