matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x2776.mol

Summary

Maintainability
Test Coverage
x2776
     RDKit          3D

 35 37  0  0  0  0  0  0  0  0999 V2000
    7.3990   -1.2460   21.5620 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0200   -4.5300   20.2410 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5310   -2.0740   20.5980 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0050   -3.6860   21.4890 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8800    2.0850   22.6480 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2070    1.3210   20.9670 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5810   -2.2730   21.1820 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    0.4270   17.5250 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5620    6.7080   24.1940 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1110    0.1910   21.2790 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.9810   -2.6720   24.6720 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1780    1.2420   21.6280 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6050    3.2520   23.0080 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7740    3.1320   23.7890 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3420    1.7960   24.1910 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4290    4.2930   24.1820 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9580    5.5390   23.7980 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7110    6.6360   25.0470 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8280    5.6480   23.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1400    4.5090   22.6160 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4510    0.4770   19.9370 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0530    0.1460   18.7290 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3650    1.0690   17.4970 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6810    1.4500   18.6370 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2340    1.1410   19.8660 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5900   -1.4790   22.3360 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8170   -1.6710   21.7030 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9800   -1.7530   22.4510 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9500   -1.6510   23.8360 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7150   -1.5350   24.4610 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5450   -1.4370   23.7270 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2280   -1.4700   24.6210 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.1820   -0.4990   23.9600 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8250   -3.3600   25.9030 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1140   -3.8270   18.9790 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 10  1  0
  5 12  1  0
  6 12  2  0
 10 12  1  1
  5 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
  9 17  1  0
 16 17  2  0
  9 18  1  0
 17 19  1  0
 13 20  1  0
 19 20  2  0
 10 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
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 26 31  1  0
 30 31  2  0
 11 32  1  0
 29 32  1  0
 32 33  1  6
 11 34  1  0
  2 35  1  0
M  END