matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x1374.mol

Summary

Maintainability
Test Coverage
x1374
     RDKit          3D

 19 20  0  0  0  0  0  0  0  0999 V2000
   10.5320   -4.3800   25.8660 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4340   -4.4250   24.8680 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7580   -5.6050   24.6380 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7410   -5.6800   23.7110 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3830   -4.5430   22.9910 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3170   -4.6170   22.0400 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5490   -4.3180   20.7310 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7520   -4.6130   19.8520 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8350   -3.5850   20.4220 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   -5.0200   22.5150 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7910   -4.5170   23.9380 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1670   -5.3620   24.7500 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8250   -6.8840   23.9650 S   0  0  2  0  0  0  0  0  0  0  0  0
    2.4410   -6.9590   23.5780 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3590   -7.9690   24.7430 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8460   -6.5470   22.5450 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0480   -3.3400   23.2190 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0740   -3.2990   24.1430 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1160   -3.2930   18.6540 R   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
 10  6  1  1
 10 11  1  0
 11 12  2  0
 13 12  1  1
 13 14  2  0
 13 15  2  0
 10 16  1  0
 13 16  1  0
  5 17  1  0
  2 18  1  0
 17 18  2  0
  9 19  1  0
M  END