matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x10889.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 23 24  0  0  0  0  0  0  0  0999 V2000
    6.6280   -5.3320   21.8720 S   0  0  2  0  0  0  0  0  0  0  0  0
    7.5340   -4.0120   22.1040 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6990    0.5490   17.6000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7620   -3.5060   23.4660 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9190   -1.2850   21.9740 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2390   -5.3320   20.4940 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5810    1.0690   18.1250 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0520   -2.7100   23.6470 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2090    0.4590   20.3380 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3740   -0.0990   19.8210 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3900   -0.9370   21.9580 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7640   -1.0820   22.7240 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0640    0.4290   23.2040 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5690   -0.0250   18.4410 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0600   -0.5330   22.2100 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9280    0.6320   23.9650 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1870   -5.1610   22.8520 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3530   -0.7520   20.6140 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3780   -6.4410   22.3750 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6010   -0.4100   22.7410 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2950    1.0490   19.4790 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4990   -1.8780   22.4330 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.7860   -0.1220   23.7290 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0
  4  2  1  0
  6  1  2  0
  7  3  2  0
  8  4  1  0
 10  9  1  0
 12  5  2  0
 14 10  2  0
 14  3  1  0
 15 13  2  0
 15  5  1  0
 16 13  1  0
  1 17  1  1
 18 10  1  0
 18 11  1  0
 19  1  2  0
 20 11  2  0
 21  9  2  0
 21  7  1  0
 22 12  1  0
 22 11  1  0
 22  8  1  1
 23 12  1  0
 23 16  2  0
M  END