          10
 #            1 XYZ structure from AGOA
 C            0.000000    0.000000    0.000000
 O            0.000000    0.000000    1.424367
 H            0.925856    0.000000    1.714087
 H            0.484582   -0.892044   -0.416329
 H           -1.046301    0.000019   -0.305702
 H            0.484421    0.892044   -0.416298
 O            2.000000   -1.000000    2.000000
 XX           2.150000   -1.000000    2.000000
 H            2.585882   -0.661824    1.322792
 H            2.585882   -1.338176    2.677208
          10
 #            2 XYZ structure from AGOA
 C            0.000000    0.000000    0.000000
 O            0.000000    0.000000    1.424367
 H            0.925856    0.000000    1.714087
 H            0.484582   -0.892044   -0.416329
 H           -1.046301    0.000019   -0.305702
 H            0.484421    0.892044   -0.416298
 O            2.000000   -1.000000    1.000000
 XX           2.150000   -1.000000    1.000000
 H            2.585882   -0.382567    1.437892
 H            2.585882   -1.617433    0.562107
          10
 #            3 XYZ structure from AGOA
 C            0.000000    0.000000    0.000000
 O            0.000000    0.000000    1.424367
 H            0.925856    0.000000    1.714087
 H            0.484582   -0.892044   -0.416329
 H           -1.046301    0.000019   -0.305702
 H            0.484421    0.892044   -0.416298
 O            2.000000    1.000000    1.000000
 XX           2.000000    1.150000    1.000000
 H            2.377493    1.585882    1.656104
 H            1.622507    1.585882    0.343895
          10
 #            4 XYZ structure from AGOA
 C            0.000000    0.000000    0.000000
 O            0.000000    0.000000    1.424367
 H            0.925856    0.000000    1.714087
 H            0.484582   -0.892044   -0.416329
 H           -1.046301    0.000019   -0.305702
 H            0.484421    0.892044   -0.416298
 O            2.000000    0.000000    3.000000
 XX           2.000000    0.000000    3.150000
 H            2.517449    0.552467    3.585882
 H            1.482551   -0.552467    3.585882
          10
 #            5 XYZ structure from AGOA
 C            0.000000    0.000000    0.000000
 O            0.000000    0.000000    1.424367
 H            0.925856    0.000000    1.714087
 H            0.484582   -0.892044   -0.416329
 H           -1.046301    0.000019   -0.305702
 H            0.484421    0.892044   -0.416298
 O            3.000000    0.000000    2.000000
 XX           3.150000    0.000000    2.000000
 H            3.585882    0.486830    2.579629
 H            3.585882   -0.486831    1.420371
          10
 #            6 XYZ structure from AGOA
 C            0.000000    0.000000    0.000000
 O            0.000000    0.000000    1.424367
 H            0.925856    0.000000    1.714087
 H            0.484582   -0.892044   -0.416329
 H           -1.046301    0.000019   -0.305702
 H            0.484421    0.892044   -0.416298
 O           -3.000000    0.000000    2.000000
 XX          -2.850000    0.000000    2.000000
 H           -2.414118   -0.000382    1.243050
 H           -2.414118    0.000382    2.756950
          10
 #            7 XYZ structure from AGOA
 C            0.000000    0.000000    0.000000
 O            0.000000    0.000000    1.424367
 H            0.925856    0.000000    1.714087
 H            0.484582   -0.892044   -0.416329
 H           -1.046301    0.000019   -0.305702
 H            0.484421    0.892044   -0.416298
 O           -1.000000   -1.000000    4.000000
 XX          -1.000000   -1.000000    3.850000
 H           -0.382567   -1.437892    3.414118
 H           -1.617433   -0.562108    3.414118
          10
 #            8 XYZ structure from AGOA
 C            0.000000    0.000000    0.000000
 O            0.000000    0.000000    1.424367
 H            0.925856    0.000000    1.714087
 H            0.484582   -0.892044   -0.416329
 H           -1.046301    0.000019   -0.305702
 H            0.484421    0.892044   -0.416298
 O           -1.000000    1.000000    4.000000
 XX          -1.000000    1.000000    3.850000
 H           -1.741809    1.150642    3.414118
 H           -0.258191    0.849358    3.414118
          10
 #            9 XYZ structure from AGOA
 C            0.000000    0.000000    0.000000
 O            0.000000    0.000000    1.424367
 H            0.925856    0.000000    1.714087
 H            0.484582   -0.892044   -0.416329
 H           -1.046301    0.000019   -0.305702
 H            0.484421    0.892044   -0.416298
 O           -3.000000   -1.000000    2.000000
 XX          -2.850000   -1.000000    2.000000
 H           -2.414118   -1.725552    2.215750
 H           -2.414118   -0.274448    1.784250
          10
 #           10 XYZ structure from AGOA
 C            0.000000    0.000000    0.000000
 O            0.000000    0.000000    1.424367
 H            0.925856    0.000000    1.714087
 H            0.484582   -0.892044   -0.416329
 H           -1.046301    0.000019   -0.305702
 H            0.484421    0.892044   -0.416298
 O           -3.000000    1.000000    2.000000
 XX          -2.850000    1.000000    2.000000
 H           -2.414118    1.694652    2.300719
 H           -2.414118    0.305347    1.699281
          10
 #           11 XYZ structure from AGOA
 C            0.000000    0.000000    0.000000
 O            0.000000    0.000000    1.424367
 H            0.925856    0.000000    1.714087
 H            0.484582   -0.892044   -0.416329
 H           -1.046301    0.000019   -0.305702
 H            0.484421    0.892044   -0.416298
 O            2.000000   -1.000000    2.000000
 XX           2.150000   -1.000000    2.000000
 H            2.585882   -0.661824    1.322792
 H            2.585882   -1.338176    2.677208