matteoferla/Fragmenstein

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fragmenstein/demo/mac1_mols/mac-x0570.mol

Summary

Maintainability
Test Coverage
mac-x0570
     RDKit          3D

 25 25  0  0  0  0  0  0  0  0999 V2000
    4.7840   37.3360   -3.9730 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0990   39.6800    1.9190 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3070   37.9310   -2.6730 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.1060   39.6070    0.7870 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4970   39.4240   -2.8910 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7720   39.1300    1.3330 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6480   37.2970   -2.3300 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6430   38.5640   -0.1940 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3420   37.7040   -1.5040 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9260   40.9690    0.1010 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4520   36.6500   -1.4900 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9390   41.9150    0.0850 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6110   36.4650   -0.4110 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7670   43.1410   -0.5510 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6490   37.3210    0.6700 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5690   43.4400   -1.1670 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7850   37.1510    1.7720 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3730   44.6810   -1.8070 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5430   38.3680    0.6420 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5530   42.4900   -1.1430 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6000   39.2520    1.7060 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3410   42.7640   -1.7720 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3800   38.5550   -0.4300 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7390   41.2720   -0.5130 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4250   35.2560   -0.4080 R   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  6
  4  2  1  1
  3  5  1  0
  4  6  1  0
  3  7  1  0
  4  8  1  0
  3  9  1  0
  4 10  1  0
  9 11  2  0
 10 12  1  0
 11 13  1  0
 12 14  1  0
 13 15  2  0
 14 16  1  0
 15 17  1  0
 16 18  1  0
 15 19  1  0
 16 20  1  0
 19 21  1  0
 20 22  1  0
  9 23  1  0
 19 23  2  0
 10 24  1  0
 20 24  1  0
 13 25  1  0
M  END