matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x10403.mol

Summary

Maintainability
Test Coverage
x10403
     RDKit          3D

 23 25  0  0  0  0  0  0  0  0999 V2000
    7.4230   -1.4100   21.4880 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2750   -1.5390   20.8230 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5860   -2.5570   20.8980 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9250   -2.4570   22.3690 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9240   -1.3600   23.2560 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5590    1.1150   16.8240 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4390   -2.4500   22.4270 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9460    1.6370   18.3170 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2100   -0.8520   23.1900 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5820    0.1870   24.0410 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8510    0.7410   23.9430 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7550    0.2620   23.0110 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3980   -0.7850   22.1810 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1320   -1.3450   22.2650 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8450   -0.3700   20.0040 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3970   -0.1870   18.7750 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9840    0.8530   17.8840 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3360    1.5140   19.5620 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2900    2.3620   19.9260 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7060    2.2300   21.1750 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1610    1.2780   22.0690 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    0.4290   21.7230 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7860    0.5230   20.4580 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  1  4  1  0
  4  7  1  0
  5  7  1  0
  5  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
  9 14  1  0
 13 14  2  0
  2 15  1  0
 15 16  2  0
  6 17  2  0
  8 17  1  0
 16 17  1  0
  8 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 15 23  1  0
 18 23  1  0
 22 23  2  0
M  END