matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x3110.mol

Summary

Maintainability
Test Coverage
x3110
     RDKit          3D

 33 34  0  0  0  0  0  0  0  0999 V2000
    8.0190    1.6030   23.0140 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2940    5.4520   22.5750 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1740    3.5750   23.4800 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2640    4.0060   22.6100 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4760   -1.3910   21.6660 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1770    2.5890   21.7350 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2170    2.8400   22.9110 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5680    0.3790   17.6830 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9990    1.3700   20.9960 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1890    2.3930   23.9040 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5160   -2.4970   21.5020 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7970    2.7620   23.4300 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1290    1.0530   21.8050 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0560    0.0160   21.4350 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.6880   -2.3950   21.1760 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2210   -3.2120   20.0160 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.9420   -4.4660   20.4320 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7130   -1.6510   22.3570 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.9210   -1.6330   21.6670 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1200   -1.6980   22.3550 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1550   -1.7980   23.7440 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.9420   -1.8580   24.4260 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7340   -1.7880   23.7470 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4800   -1.7740   24.5200 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.6150   -0.4430   25.2570 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6810   -1.9230   23.5880 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5440   -2.9100   25.5520 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4100    0.3180   20.0890 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.0300    0.0120   18.8840 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4310    1.0820   17.6530 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7270    1.4340   18.7900 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2270    1.0410   20.0170 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2220   -3.6500   18.8100 R   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0
  3  4  1  0
  3  7  1  0
  6  7  1  0
  7 10  1  0
  1 12  1  0
 10 12  1  0
  1 13  1  0
  9 13  1  0
  5 14  1  0
 14 13  1  6
  5 15  1  0
 15 11  1  6
 15 16  1  0
 16 17  1  0
 18  5  1  1
 18 19  1  0
 19 20  1  0
 21 20  1  6
 21 22  1  0
 18 23  1  0
 22 23  1  0
 21 24  1  0
 24 25  1  1
 24 26  1  0
 24 27  1  0
 14 28  1  0
  8 29  1  0
 28 29  1  6
  8 30  1  0
 30 31  1  0
 28 32  1  0
 31 32  1  0
 16 33  1  1
M  END