matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x10150.mol

Summary

Maintainability
Test Coverage
x10150
     RDKit          3D

 25 27  0  0  0  0  0  0  0  0999 V2000
    7.3760   -3.7920   21.2070 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3560   -2.6230   19.0510 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6780   -1.9970   26.9480 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8530   -3.7010   19.9590 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6090   -3.8610   24.0350 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0280   -4.5120   19.5710 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2920   -5.0660   21.9380 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6740   -4.0200   25.9570 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7620   -4.8350   23.3410 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2670   -3.7450   25.4580 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3200   -4.3700   26.3690 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2560   -2.8660   26.2990 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6830   -2.7060   25.8570 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6790   -3.2000   26.6700 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0090   -3.1200   26.2970 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3730   -2.5390   25.1220 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4000   -2.0120   24.2440 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7480   -1.4590   22.9890 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7830   -1.0220   22.1270 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4460   -1.0950   22.4710 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0640   -1.6030   23.6800 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0230   -2.0910   24.6080 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5360   -2.5680   23.3350 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0760   -2.7090   21.9160 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8040   -3.4490   18.4240 R   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0
  2  4  1  0
  4  6  2  0
  1  7  1  0
  5  9  1  0
  7  9  1  0
  5 10  1  0
  8 11  1  0
 10 11  1  0
  3 12  2  0
  8 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 13 22  1  0
 17 22  2  0
 21 22  1  0
  5 23  1  0
  1 24  1  0
 23 24  1  0
  2 25  1  0
M  END