1    10  Dimethyl Sulfoxide (OPLS-AA LigParGen)
2     1  CT     1.000000    1.000000    0.000000     3     2     5     6     7
3     2  SZ    -0.809000    1.000000    0.000000     1     1     3     4
4     3  OY    -1.260000    1.000000    1.431000     2     2
5     4  CT    -0.989000    2.687000   -0.627000     3     2     8     9    10
6     5  HC     1.348000    0.043000    0.395000     4     1
7     6  HC     1.373000    1.809000    0.633000     4     1
8     7  HC     1.364000    1.122000   -1.023000     4     1
9     8  HC    -0.554000    2.752000   -1.627000     4     4
10     9  HC    -0.490000    3.390000    0.045000     4     4
11    10  HC    -2.054000    2.927000   -0.680000     4     4
12