Considered a list of this type 

L:=[["O",3.85090000,0.45160000,0.00120000],
["O",−2.59990000,1.40410000,−0.00180000],
["N",−1.57050000,−0.71710000,0.00010000],
["C",−0.20660000,−0.42310000,−0.00020000],
["C",0.22050000,0.90470000,0.00040000],
["C",0.72980000,−1.45700000,−0.00070000],
["C",1.58410000,1.19860000,0.00020000],
["C",2.09330000,−1.16290000,−0.00070000],
["C",2.52040000,0.16480000,−0.00030000],
["C",−2.64850000,0.17820000,0.00090000],
["C",−3.97350000,−0.54200000,0.00100000],
["H",−0.44360000,1.75770000,0.00120000],
["H",0.41130000,−2.49630000,−0.00100000],
["H",−1.80100000,−1.70860000,0.00010000],
["H",1.90530000,2.23700000,0.00090000],
["H",2.81800000,−1.97260000,−0.00080000],
["H",−4.06550000,−1.14630000,−0.90580000],
["H",−4.79040000,0.18440000,0.02880000],
["H",−4.04450000,−1.18860000,0.88020000],
["H",3.96500000,1.41760000,0.00170000]];

Find out the indexs of the list within the list where "H" is their and to store is set S.

Here we can say 12th list have "H"

Similarly 13th list has "H" and so on

So it will output a set

{11,12,13,...}

A function which takes a list like above as input and outputs the set which give index positions of lists containing "H"

Is their anyway in by which given a molecule I can code to get the hydrogen depleted form of the molecule using Maplesoft quantum chemistry toolbox

After hydrogen depleted get the BondDistances table of that depleted molecule structure

@David Mazziotti 

I just purchased the quantum chemistry package

The plotmolecule is not giving the correct structure of the attached xyz file can you please confirm and help 

I am attaching 

A.xyz    as     A.txt
Please rename it .xyz as maple is not allowing to attach a xyz file.

XYZ  file :       A.txt     Rename as xyz

Image file of the molecule which is expected:
  

Image coming from maple code: 

It can be observed that the bond between yellow (Sulfur ) and carbon missing

Code given below I typed

restart;
with(QuantumChemistry);
molecule := ReadXYZ("A.xyz");
print(PlotMolecule(molecule));

Having  Matrix say A of dimensions n×m

Writing a function that 

Will choose k  columns of the matrix at 

At random where one of the column that is column m is the last column of output matrix that is after choosing k columns from the first m-1 column

We append the column m as last column to the new random matrix and the function returns the new matrix M

Kind help

k can be any big number less than m-1

Save plot directly to a image file say as .jpg or .png 

Directly via maple code.