matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x11294.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 27 29  0  0  0  0  0  0  0  0999 V2000
    6.4570    0.9790   16.8630 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8320    0.7390   17.8990 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2030   -0.2690   18.8250 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7710    1.5270   18.2640 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1200    1.4470   19.4890 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5560    0.4960   20.4390 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9680    0.5260   21.7200 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4920   -0.3550   22.6280 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9140   -0.3980   23.9320 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9510    1.4260   22.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5070    2.3090   21.0410 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0900    2.3320   19.7880 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6230   -0.4310   20.0400 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0390   -1.6110   20.8540 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3220   -2.6050   20.9470 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2080   -1.5080   21.4880 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6390   -2.4690   22.4910 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1250   -2.4550   22.6830 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5470   -1.0830   22.7330 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8910   -0.8090   22.7950 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2310    0.4370   23.3590 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1690    1.1980   23.7710 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4110    2.5720   24.0850 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8870   -1.6330   22.2880 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2050   -1.2070   22.3090 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5400    0.0150   22.8600 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5620    0.8360   23.4010 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0
  3  2  1  0
  4  2  1  0
  5  4  1  0
  6  5  2  0
  7  6  1  0
  8  7  1  0
  9  8  1  0
 10  7  2  0
 11 10  1  0
 12 11  2  0
 12  5  1  0
 13  6  1  0
 13  3  2  0
 14 13  1  0
 15 14  2  0
 16 14  1  0
 17 16  1  0
 18 17  1  0
 19 18  1  0
 20 19  1  0
 21 20  2  0
 22 21  1  0
 23 22  1  0
 24 20  1  0
 25 24  2  0
 26 25  1  0
 27 26  2  0
 27 21  1  0
M  END