matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x1412.mol

Summary

Maintainability
Test Coverage
x1412
     RDKit          3D

 17 18  0  0  0  0  0  0  0  0999 V2000
    6.9510   -2.9280   21.0150 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1400   -2.5550   18.5790 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7500   -4.1840   19.6030 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5590   -3.2800   19.7740 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2500   -2.7870   23.5260 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2890   -1.3540   25.2870 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5240   -3.7460   22.1510 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6930   -4.0520   23.0550 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7820   -1.9950   22.4170 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6940   -1.7170   21.3940 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3930   -2.4950   24.8430 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6840   -3.5860   25.7150 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5790   -4.6070   25.4640 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4490   -5.6380   26.4150 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6740   -5.2950   27.4670 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9130   -3.7950   27.2410 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.7580   -3.2860   18.2660 R   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0
  2  4  1  0
  3  4  2  0
  1  7  1  0
  5  8  1  0
  7  8  1  0
  5  9  1  0
  1 10  1  0
  9 10  1  0
  5 11  1  0
  6 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 12 16  1  0
 15 16  1  0
  2 17  1  0
M  END