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Figure 2
An example where exactly the same atom-type pairs have different bond lengths: COD code 2015492. The distance between C9 and C10 is 1.52 Å, whereas the distance between C9 and C11 is 1.43 Å. Both C10 and C11 have exactly same chemical environment and topology, and therefore the same atom type. This figure was produced by Marvin Sketch (

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ISSN: 2059-7983
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