matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x0426.mol

Summary

Maintainability
Test Coverage
x0426
     RDKit          3D

 18 19  0  0  0  0  0  0  0  0999 V2000
    1.4500    3.8040   25.2050 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4510    4.5120   25.8600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8560    4.0450   25.8940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1740    2.8540   25.2610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1830    2.1440   24.5950 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1320    2.6090   24.5670 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1890    1.7940   23.8220 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0590    0.6140   23.7660 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3270    2.4480   23.1840 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3350    1.6910   22.4420 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8400    1.6190   20.9960 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8410    1.1430   19.9400 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8530    0.2210   20.2060 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6990   -0.1470   19.1580 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5610    0.3540   17.9390 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6080    1.2200   17.6850 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7270    1.6440   18.6650 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7330    4.2910   25.1960 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  1  6  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 12 17  1  0
 16 17  2  0
  1 18  1  0
M  END