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Numerotation of molecules #3331

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lpatiny opened this issue Jan 16, 2025 · 0 comments
Open

Numerotation of molecules #3331

lpatiny opened this issue Jan 16, 2025 · 0 comments

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@lpatiny
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lpatiny commented Jan 16, 2025

In natural products it is required to specify precise numbering (also with prime).

Image

Here is an example of molfile with numbering


  ChemDraw01162517442D

  8  8  0  0  0  0  0  0  0  0999 V2000
   -1.0717    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2  3  1  0        0
  3  4  1  0        0
  4  5  1  0        0
  5  6  1  0        0
  6  1  1  0        0
  6  7  1  0        0
  5  8  1  0        0
V    1 3
V    6 2
V    7 1
M  END
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