assembly-theory 0.6.1

Open, reproducible calculation of assembly indices
Documentation
 
 
 
 20 20  0  0  1  0  0  0  0  0999 V2000
   27.9432  -16.6727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.3443  -16.6727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.7773  -15.3401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.6438  -14.5165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.5102  -15.3401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1195  -17.8063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.1680  -17.8063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.1895  -14.9109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1785  -15.3401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.7773  -13.9389    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.1443  -15.8519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.8753  -14.1333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.2676  -14.1333    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   23.7431  -15.8519    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   22.3419  -15.8519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.7431  -14.4308    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.7430  -17.2332    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   34.6688  -14.1333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.2676  -15.5518    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.2676  -12.7494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  1  5  1  0     0  0
  1  6  1  6     0  0
  2  7  1  1     0  0
  5  8  1  1     0  0
  3  9  1  0     0  0
  3 10  1  0     0  0
  8 11  1  0     0  0
  9 12  1  0     0  0
 12 13  1  0     0  0
 11 14  1  0     0  0
 14 15  2  0     0  0
 14 16  1  0     0  0
 14 17  1  0     0  0
 13 18  2  0     0  0
 13 19  1  0     0  0
 13 20  1  0     0  0
M  END