matteoferla/Fragmenstein

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

Summary

Maintainability
Test Coverage

     RDKit          3D

 37 39  0  0  0  0  0  0  0  0999 V2000
   11.2530    4.3940   23.3750 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8140    5.3580   22.7630 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6700    3.9620   24.4490 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9980    6.0940   23.2290 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.1990    5.1780   23.4380 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3920    7.1010   22.1690 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7140    6.8720   24.5140 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2120    3.9110   22.8320 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4990    2.7650   23.3930 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.0210    3.0170   23.6910 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2470    3.4470   22.4350 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9300    4.1580   24.7030 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4400    1.7470   24.3290 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7510    1.5400   22.5490 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4190    1.5520   21.3690 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3930    0.5100   23.1360 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9730    0.4620   24.4830 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5970   -0.7580   22.4290 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.5940   -1.5830   23.2460 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.7810   -0.8380   24.5640 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.9610   -0.9820   23.5910 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.5100    0.2710   22.9000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0000   -1.9920   24.0620 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2860   -1.4770   22.4240 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6970   -1.6810   23.4810 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8450   -1.8200   21.2930 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5410   -2.4610   21.1420 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.8380   -1.4040   20.2850 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4690   -1.0040   20.8180 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.1240    0.4420   20.4830 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4220   -0.6600   22.3110 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8980    0.7270   21.9570 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6930   -4.6380   21.1390 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6720   -3.8550   20.4980 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5690   -4.5330   19.7120 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3660   -4.6110   20.6360 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1190   -5.2980   21.6870 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0
  3  1  2  0
  4  2  1  0
  4  5  1  1
  6  4  1  0
  7  4  1  0
  8  1  1  0
  9  8  1  6
 10  9  1  0
 10 11  1  6
 12 10  1  0
 13 10  1  0
 14  9  1  0
 15 14  2  0
 16 14  1  0
 17 16  1  0
 18 16  1  0
 19 18  1  6
 20 19  1  0
 20 17  1  6
 21 20  1  0
 21 19  1  0
 21 22  1  6
 23 21  1  0
 18 24  1  1
 25 24  2  0
 26 24  1  0
 27 26  1  0
 27 28  1  6
 29 28  1  6
 30 29  1  0
 31 29  1  0
 32 30  1  0
 32 31  1  0
 34 33  1  1
 34 27  1  0
 36 35  2  0
 36 34  1  0
 37 36  1  0
M  END