alanine-dipeptide-implicit.xyz

    22
     1  C      2.000000    2.090000    0.000000   221     2     4     5     6
     2  C      3.427000    2.641000   -0.000000   223     1     3     7
     3  O      4.391000    1.877000   -0.000000   224     2
     4  H      2.000000    1.000000   -0.000000   222     1
     5  H      1.486000    2.454000    0.890000   222     1
     6  H      1.486000    2.454000   -0.890000   222     1
     7  N      3.555000    3.970000   -0.000000     7     2     8    11
     8  CA     4.853000    4.614000   -0.000000     8     7     9    12    13
     9  C      4.713000    6.129000    0.000000     9     8    10    17
    10  O      3.601000    6.653000    0.000000    11     9
    11  HN     2.733000    4.556000   -0.000000    10     7
    12  H      5.408000    4.316000    0.890000    12     8
    13  C      5.661000    4.221000   -1.232000    13     8    14    15    16
    14  H      5.123000    4.521000   -2.131000    14    13
    15  H      6.630000    4.719000   -1.206000    14    13
    16  H      5.809000    3.141000   -1.241000    14    13
    17  N      5.846000    6.835000    0.000000   227     9    18    19
    18  C      5.846000    8.284000    0.000000   229    17    20    21    22
    19  HN     6.737000    6.359000   -0.000000   228    17
    20  H      4.819000    8.648000    0.000000   230    18
    21  H      6.360000    8.648000    0.890000   230    18
    22  H      6.360000    8.648000   -0.890000   230    18