matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x2703.mol

Summary

Maintainability
Test Coverage
x2703
     RDKit          3D

 34 36  0  0  0  0  0  0  0  0999 V2000
    7.3000   -1.4080   21.7070 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8440   -4.6770   20.1750 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3810   -2.3460   20.9820 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1470   -3.8610   21.4270 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4910    1.9880   22.6650 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8990    1.2800   21.0240 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5270   -2.4830   21.3690 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4390    0.3830   17.6600 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9000   -0.0070   21.3940 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9500   -1.7200   22.3350 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8940    1.1230   21.7100 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1230    3.2460   22.8820 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3460    3.2930   23.5720 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0010    2.0520   24.1410 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3140    1.5140   25.3860 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9560    4.5350   23.7450 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3770    5.6880   23.2400 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1800    5.6170   22.5510 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5170    4.4020   22.3750 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1590    4.3690   21.7200 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2200    0.2210   20.0550 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8750   -0.0280   18.8570 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2860    1.0600   17.6290 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5410    1.3420   18.7570 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0140    0.9040   19.9790 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5510   -1.5650   22.4040 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7640   -1.5790   21.7220 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9620   -1.8760   23.6690 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7950   -1.8920   24.4260 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5790   -1.7260   23.7860 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3600   -1.9910   24.2970 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.4210   -3.0550   25.3960 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8470   -0.6450   24.8230 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0450   -3.8330   19.1300 R   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0
  1  7  1  0
  3  7  2  0
  4  7  1  0
  1  9  1  0
  5 11  1  0
  6 11  2  0
  9 11  1  1
  5 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 13 16  1  0
 16 17  2  0
 17 18  1  0
 12 19  1  0
 18 19  2  0
 19 20  1  0
  9 21  1  0
  8 22  2  0
 21 22  1  0
  8 23  1  0
 23 24  2  0
 21 25  2  0
 24 25  1  0
  1 26  1  0
 10 27  2  0
 26 27  1  0
 10 28  1  0
 28 29  2  0
 26 30  2  0
 29 30  1  0
 28 31  1  0
 31 32  1  1
 31 33  1  0
  2 34  1  0
M  END