chelate 0.2.0

Parser for a bunch of molecular file formats
Documentation
241
  Marvin  12300703363D          

 12 12  0  0  0  0            999 V2000
   -0.7040   -1.2194   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7040   -1.2194   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4081   -0.0000   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4081    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7040    1.2194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7040    1.2194   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2152   -2.1048   -0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2152   -2.1048    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4304   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4304    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2152    2.1048   -0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2152    2.1048    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  7  1  0  0  0  0
  2  4  1  0  0  0  0
  2  8  1  0  0  0  0
  3  5  2  0  0  0  0
  3  9  1  0  0  0  0
  4  6  2  0  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
M  END

> <PUBCHEM_BONDANNOTATIONS>
1  2  8
1  3  8
2  4  8
3  5  8
4  6  8
5  6  8

> <StdInChI>
InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H

> <StdInChIKey>
UHOVQNZJYSORNB-UHFFFAOYSA-N

> <AuxInfo>
1/0/N:1,2,3,4,5,6/E:(1,2,3,4,5,6)/rA:12nCCCCCCHHHHHH/rB:d1;s1;s2;d3;d4s5;s1;s2;s3;s4;s5;s6;/rC:-.704,-1.2194,0;.704,-1.2194,0;-1.4081,0,0;1.4081,0,0;-.704,1.2194,0;.704,1.2194,0;-1.2152,-2.1048,0;1.2152,-2.1048,0;-2.4304,0,0;2.4304,0,0;-1.2152,2.1048,0;1.2152,2.1048,0;

> <Formula>
C6 H6

> <Mw>
78.11184

> <SMILES>
C1([H])C([H])=C([H])C([H])=C([H])C=1[H]

> <CSID>
236

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