assembly-theory 0.6.1

Open, reproducible calculation of assembly indices
Documentation 
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 22 26  0  0  1  0  0  0  0  0999 V2000
   21.5384  -23.5506    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   21.5384  -22.2288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7210  -24.2462    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   20.4253  -24.1767    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   22.7210  -22.9245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4253  -21.6027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7210  -21.6027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.8341  -23.5506    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   22.7210  -25.4984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1036  -22.8548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.4253  -25.4984    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   24.9471  -22.9245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4253  -20.2809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.8341  -22.2983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7210  -20.2809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9471  -24.2462    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   21.5384  -26.1941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3123  -26.1941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.6080  -19.6549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3123  -19.6549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.9732  -25.1506    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.3437  -24.2462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  1  3  1  0     0  0
  1  4  1  0     0  0
  1  5  1  1     0  0
  2  6  2  0     0  0
  2  7  1  0     0  0
  3  8  1  0     0  0
  3  9  1  0     0  0
  4 10  1  6     0  0
  4 11  1  0     0  0
  5 12  1  0     0  0
  6 13  1  0     0  0
  7 14  1  0     0  0
  7 15  2  0     0  0
  8 16  1  1     0  0
  9 17  2  0     0  0
 11 18  1  6     0  0
 13 19  2  0     0  0
 13 20  1  0     0  0
  6 10  1  0     0  0
  8 14  1  0     0  0
 11 17  1  0     0  0
 12 16  1  0     0  0
 15 19  1  0     0  0
  3 21  1  1     0  0
 16 22  1  0     0  0
M  END