matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x0499.mol

Summary

Maintainability
Test Coverage
x0499
     RDKit          3D

 17 18  0  0  0  0  0  0  0  0999 V2000
   25.9190    6.2200   13.8670 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.8950    4.8460   13.4050 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.2320    3.9900   14.1600 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.4720    4.4710   11.9800 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2180    5.4380   11.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8530    5.0720    9.7330 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7360    3.7380    9.4070 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.3630    3.3690    8.0650 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.1170    2.6850    7.7840 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3660    2.4110    8.6630 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.8090    2.3200    6.3180 C   0  0  2  0  0  0  0  0  0  0  0  0
   23.2160    1.1370    6.0790 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.8730    1.1900    4.7140 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5500    2.5480    4.8010 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6470    3.2820    5.3210 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.9970    2.7660   10.3550 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3630    3.1300   11.6410 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 11  9  1  1
 11 12  1  0
 12 13  1  0
 13 14  1  0
 11 15  1  0
 14 15  1  0
  7 16  1  0
  4 17  1  0
 16 17  2  0
M  END