The scatter chart above is an example for the second case. Without any retrieval all C-C internuclear distances of the complete MGDCOM file are taken into account. The main peaks at 1.20 Å, 1.33 Å, 1.39 Å and 1.52 Å can be assigned to acetylenic triple bonds, olefinic double bonds, aromatic bonds and aliphatic single bonds, respectively.

See also:
compound search mask
compound hitlist

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