Return parser version string.

Parses an atom line. Return value is an object:

 {
    'x': 0.0,
    'y': 0.0,
    'z': 0.0,
    'elname': 'Hf'
    'massDiff': 0,
    'chargeCode': 0,
    'valenceCode': 0,
  }

Note that massDiff, chargeCode and valenceCode should be ignored if there are isotope, charge, or radical entries in the property table which follows the atom and bond tables.

It is easier to read the isotope, charge, and radical information from the properties than to interpret the codes.

Mass difference is an integral difference from the periodic table mass, and is in the range -3..4

Charge code should be interpreted as follows:

Valence code should be interpreted as follows:

Parses a bond line. Return value is an object:

 {
   'from': 3,
   'to': 4,
   'bondType': 1,
   'bondStereo': 0
 }

bondType is a code, and should be interpreted as follows:

Codes 5-8 are can only be present when the file describes a search. They are never present in a molecule description.

bondStereo is a code, and should be interpreted as follows:

Parse the count line of a V2000 format molFile. Returns an object:

{
  'atoms': 15,
  'bonds': 14,
  'chiral': 1,
  'mLines': 999,
  'version': ' V2000'
}

Note that mLines should always be 999 for modern molfiles, to signal the mLines value is ignored. M lines are read until 'M END'.

Note that version will contain leading spaces if the version string is shorter than the 6 bytes alloted.

Parses a V2000 molfile record and returns an Object containing the data therein.

 {
     atoms: [
       { x: 0.0, y: 0.0, z: 0.0, elname: 'Hf' }
       ...
     ],
     bonds: [
         { 3, 4, 1 },
         ...
     }
     properties: {
         CHG: {
            3: -1
         }
         ISO: {
         }
         RAD: {
         }
     }
     data: {
       ID: 'zwitterions_2'
    }
  }

Bonds and properties refer to atoms with 1-based indexes, as in the original file, but the atoms[] array is 0-based.

Parses a property line

Prescan the molfile data, find the newlines and boundaries of various blocks. Returns an object:

{
  newlines: [],     // offset of each newline
  firstM: 120,      // beginning of properties
  lastM: 154,       // end of properties
  firstAngle: 230,  // beginning of data
  sectionEnd: 500   // end of data
}