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Home ChemPack CStruct Connection Table - Principles
See also: Connection Table 

Connection Table - Principles

Each atom of a structure is labeled by a unique number between 1 and the maximum number of atoms. These numbers serve as an index into the connection table. Each line of a connection table lists all connections of a single atom as well as the bond types and some atom specific information. Below you find a simple example of the connection table of benzoic acid methyl ester (hydrogens not included):


index Atomic number connected to atom bond type
1 6 2, 9 4, 4
2 6 1, 3 4, 4
3 6 2, 4 4, 4
4 6 3, 5, 8 4, 1, 4
5 6 4, 6, 7 1, 2, 1
6 8 5 2
7 8 5, 10 1, 1
8 6 4, 9 4, 4
9 6 1, 8 4, 4
10 6 7 1

Last Update: 2023-Feb-06