C Original parameters of Gasteiger and Marsili
C
C Column #      Description
C       1       CODE: C - comment,  S - sigma,  P - pi  and  E - end
C                     D - damping and ncyc parameter line
C       2       Atomic number
C If valence state is zero then ignore atom type determination ...
C       3       Valence state
C       4       Connections to atom (atom type flag used for valence match)
C       5       Anionic electronegativity
C       6       Neutral electronegativity
C       7       Cationic electionegativity
C       10      Reference
C Note: No distinction is made between SP2 and Aromatic atoms parametrically.
C Note: Order table entries according to atomic number.
C Note: Fixed Format data field (A1,3I3,2X,3(1X,F8.4)) Sorry ...
C
C Damping, ncyc, and debug parameters
C
D 0.5 50 1
C
C Hydrogen ...
S  1  0  0     0.3700   7.1700  12.8500  [Tetrahedron,36,3219,1980]
C
C Carbons ...
S  6  3  0     0.6800   7.9800  19.0400  anion
S  6  4  4     0.6800   7.9800  19.0400  [Tetrahedron,36,3219,1980]
S  6  4  3     0.9800   8.7900  19.6200  [Tetrahedron,36,3219,1980]
S  6  4  2     1.6700  10.3900  20.5700  [Tetrahedron,36,3219,1980]
P  6  4  3    -0.3900   5.6000  17.4700  [Croat.Chem.Acta,53,601,1980]
P  6  4  2     0.0500   5.6400  16.8500
C
C Nitrogens ...
C Amides are perceived specially and flagged with a -ve bond connection
S  7  3  3     2.0800  11.5400  23.7200  [Tetrahedron,36,3219,1980]
S  7  3  2     2.5700  12.8700  24.8700  [Tetrahedron,36,3219,1980]
S  7  3  1     3.7100  15.6800  27.1100  [Tetrahedron,36,3219,1980]
S  7  3 -3     2.4600  12.3200  24.8600
S  7  4  0     0.0000   0.0000  23.7200
P  7  3  3     0.0000   4.5400  23.7200  [Croat.Chem.Acta,53,601,1980]
P  7  3  2     0.8900   7.9500  20.3500  [Croat.Chem.Acta,53,601,1980]
P  7  3  1     0.8300   7.9200  20.3800
P  7  3 -3     0.0000   3.5700  20.3500
P  7  4  0     0.0000   0.0000  23.7200
C
C Oxygens ...
S  8  1  1     3.7500  17.0700  31.3300
S  8  2  2     2.6500  14.1800  28.4900  [Tetrahedron,36,3219,1980]
S  8  2  1     3.7500  17.0700  31.3300  [Tetrahedron,36,3219,1980]
S  8  3  0     0.0000   0.0000  28.4900
P  8  2  2     0.0000   7.9100  29.5200  [Croat.Chem.Acta,53,601,1980]
P  8  2  1     1.2300  10.0900  24.6900  [Croat.Chem.Acta,53,601,1980]
P  8  3  0     0.0000   0.0000  28.4900
C
C F ...
S  9  0  0     3.1200  14.6600  30.8200  [Tetrahedron,36,3219,1980]
P  9  0  0     3.1200   7.3400  30.8400  [Croat.Chem.Acta,53,601,1980]
C
C Al ...
S 13  0  0     1.0600   5.4700  11.6500
C
C P ...
S 15  0  0     1.6200   8.9000  18.1000
C
C S ...
S 16  2  2     2.3900  10.1400  20.6500  [Tetrahedron,36,3219,1980]
S 16  2  1     2.7200  10.8800  21.6900
C 16  3  0     0.0000   0.0000  20.6500           S+   SKK
S 16  3  0     2.3900  10.1400  20.6500           S+ SKK
S 16  6  4     2.3900  10.1400  20.6500           S.O2 SKK
S 16  4  4     2.3900  10.1400  20.6500           S.O2 SKK ++ - - version
S 16  4  3     0.0000   0.0000  20.6500           S.O  SKK
C 16  4  3     2.3900  10.1400  20.6500           S.O  SKK
P 16  2  2     0.0000   6.6000  20.6400  [Croat.Chem.Acta,53,601,1980]
P 16  2  1     1.3800   7.7300  17.7000  [Croat.Chem.Acta,53,601,1980]
P 16  3  0     0.0000   0.0000  20.6500           S+   SKK
P 16  6  4     0.0000   6.6000  20.6400           S.O2 SKK
P 16  4  3     0.0000   6.6000  20.6400           S.O  SKK
C
C Cl ...
S 17  0  0     2.6600  11.0000  22.0400  [Tetrahedron,36,3219,1980]
P 17  0  0     2.3000   6.5000  21.6800  [Croat.Chem.Acta,53,601,1980]
C
C Br ...
S 35  0  0     2.7700  10.0800  19.7100  [Tetrahedron,36,3219,1980]
P 35  0  0     0.0000   5.2000  19.3600  [Croat.Chem.Acta,53,601,1980]
C
C I ...
S 53  0  0     2.9000   9.9000  18.8200  [Tetrahedron,36,3219,1980]
P 53  0  0     0.0000   8.8100  17.6200  [Croat.Chem.Acta,53,601,1980]
E
