matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x1478.mol

Summary

Maintainability
Test Coverage
x1478
     RDKit          3D

 12 12  0  0  0  0  0  0  0  0999 V2000
    7.4020   -3.1330   21.3610 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4490   -2.5790   19.3210 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2640   -3.5570   19.4330 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3540   -5.8850   21.7620 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2490   -3.1510   20.0270 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9200   -4.6570   23.5460 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4060   -3.2370   22.3540 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9740   -2.1350   23.0890 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0040   -2.3220   24.0500 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5110   -3.5930   24.2430 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8470   -4.4770   22.6300 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1090   -3.3990   17.8470 R   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0
  2  5  1  0
  3  5  2  0
  1  7  1  0
  7  8  1  0
  8  9  2  0
  6 10  2  0
  9 10  1  0
  4 11  1  0
  6 11  1  0
  7 11  2  0
  2 12  1  0
M  END