matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x10856.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
    7.6940   -3.0690   23.4740 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5220    0.6710   17.4690 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3500    1.1980   17.8420 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1380   -0.4200   23.8140 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0840   -2.1690   21.5870 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2310   -1.7420   21.5030 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1470    0.3830   24.3360 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4170   -1.3790   22.8350 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7320   -1.5050   22.3850 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7290   -0.7260   22.9410 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7000    0.6840   20.1590 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2870    0.1340   18.4260 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9260    0.0870   19.7740 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9050    1.2220   19.1500 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3580    0.9570   21.6030 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4240    0.7730   24.9930 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6390   -0.8240   20.6000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8260   -0.3430   24.1990 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3450   -2.3580   22.3650 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.5460   -1.0850   22.4900 Br  0  0  0  0  0  0  0  0  0  0  0  0
   11.4500    0.2260   23.8970 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  2  0
  6  5  2  0
  7  4  2  0
  8  4  1  0
  9  8  2  0
 10  9  1  0
 12  2  1  0
 13 12  2  0
 13 11  1  0
 14  3  1  0
 14 11  2  0
 15 11  1  0
 17 13  1  0
 17  6  1  0
 18 16  1  0
 18  4  1  0
 19  6  1  0
 19  8  1  0
 19  1  1  1
 20 10  1  0
 21  7  1  0
 21 10  2  0
M  END