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Figure 7
The PDB chemical component definition for PWR needed correction. (a) The original definition incorrectly described the chemistry of the isoquinoline-N-oxide group, adding an H atom to the O atom and indicating that the N atom is a free radical with a dot. (b) The definition after correction. Although the difference is small, it is not trivial, as issues like this will negatively affect the downstream processing of the structure. |

journal menu![[Figure 7]](gin5003fig7.jpg)
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