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Figure 4
An example of local topology and chemistry-based atom types. This example corresponds to the ligand DDI from the PDB's CCD. The full atom type of C23 is C[5,6a](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}. This figure was produced using Marvin Sketch v.16.9.12 (

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