matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x2754.mol

Summary

Maintainability
Test Coverage
x2754
     RDKit          3D

 20 21  0  0  0  0  0  0  0  0999 V2000
    6.6450   -4.0560   21.4610 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9860   -3.1070   25.2990 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7920   -2.9670   25.0900 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9080   -3.6050   24.2060 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5220   -2.8710   26.5290 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6930   -4.8960   19.6130 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2250   -4.6910   23.3630 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2020   -5.1790   22.2990 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3630   -4.0290   20.1470 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9230   -2.8760   19.3410 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3020   -2.9780   22.2140 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3780   -2.4460   23.3120 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7400   -2.1580   27.5340 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8400   -3.2760   26.9200 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0880   -4.6070   27.2550 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3920   -5.0360   27.4420 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4430   -4.1500   27.3120 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1940   -2.8180   27.0280 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8960   -2.3720   26.8370 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4850   -3.3810   18.5710 R   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0
  4  2  1  1
  2  5  1  0
  4  7  1  0
  1  8  1  0
  7  8  1  0
  1  9  1  0
  6  9  2  0
  9 10  1  0
  1 11  1  0
  4 12  1  0
 11 12  1  0
  5 13  1  0
  5 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 14 19  1  0
 18 19  2  0
 10 20  1  0
M  END