matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-7c8u.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 29 30  0  0  0  0  0  0  0  0999 V2000
    8.8200    3.4280   23.5600 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6920    3.0820   22.4570 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5110    1.8640   21.9220 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9070    1.6580   20.8920 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4250    3.7340   23.0940 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1790    4.7880   22.2280 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8830    5.0720   21.8170 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8260    4.3200   22.2780 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0570    3.2730   23.1380 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3510    2.9820   23.5470 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1050    0.9160   22.6680 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2170   -0.4400   22.1630 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.8600   -1.0940   21.9090 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1270   -1.3840   22.8540 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0370   -1.2980   23.1220 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4980   -0.8760   23.2760 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.2410   -1.8590   24.1530 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1910   -0.7410   21.9300 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5560   -1.3420   20.6300 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3030   -1.9440   20.1680 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.5370   -3.4300   19.8550 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2890   -4.1180   19.7470 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7590   -1.1390   18.9820 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3780    0.2820   19.3840 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.1690    0.4290   20.3010 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5580    1.7680   19.9100 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0180    1.9520   18.5370 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0400    1.1700   18.2020 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6380    1.1790   17.1080 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0
  3  2  1  0
  4  3  1  0
  5  1  1  0
  6  5  1  0
  7  6  1  0
  8  7  1  0
  9  8  1  0
 10  9  1  0
 10  5  1  0
 11  3  1  0
 12 11  1  0
 13 12  1  0
 14 13  1  0
 12 15  1  1
 16 15  1  0
 16 17  1  1
 18 16  1  0
 19 13  1  0
 20 19  1  0
 20 21  1  6
 22 21  1  0
 23 20  1  0
 24 23  1  6
 25 24  1  0
 26 25  1  0
 27 26  1  0
 28 27  1  0
 28 24  1  0
 29 28  1  0
M  END