matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x1358.mol

Summary

Maintainability
Test Coverage
x1358
     RDKit          3D

 20 21  0  0  0  0  0  0  0  0999 V2000
    6.9200   -2.4430   25.9080 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9510   -0.2750   26.5210 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3400   -0.2440   25.3110 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8200    0.7440   27.4670 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8190   -4.0980   21.0790 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8350   -3.2650   25.4890 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4720    0.6430   28.6840 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5820   -4.6180   19.2680 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2540   -0.4560   28.9710 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3950   -1.4740   28.0400 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7330   -1.3930   26.8310 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0130   -3.1320   25.1770 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5980   -3.7400   23.9160 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6100   -4.6150   23.1420 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2760   -5.1800   21.9100 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7670   -3.2270   21.7780 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1170   -2.6340   22.9960 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4450   -3.9260   19.7950 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1450   -2.8550   19.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7290   -3.4410   18.3300 R   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0
  2  4  2  0
  4  7  1  0
  7  9  2  0
  9 10  1  0
  1 11  1  0
  2 11  1  0
 10 11  2  0
  1 12  1  0
  6 12  2  0
 13 12  1  1
 13 14  1  0
  5 15  1  0
 14 15  1  0
  5 16  1  0
 13 17  1  0
 16 17  1  0
  5 18  1  0
  8 18  2  0
 18 19  1  0
 19 20  1  0
M  END