1Test system for solvate/insert-molecules
2 6
3    1MeOH   Me1    1   1.970   1.460   1.209 -0.8587 -0.1344 -0.0643
4    1MeOH    O2    2   1.978   1.415   1.082  0.0623 -0.1787  0.0036
5    1MeOH    H3    3   1.905   1.460   1.030 -0.5020 -0.9564  0.0997
6    2SOL     OW    4   1.555   1.511   0.703   0.869   1.245   1.665
7    2SOL    HW1    5   1.498   1.495   0.784   0.169   0.275   1.565
8    2SOL    HW2    6   1.496   1.521   0.623   0.269   2.275   1.465
9   3.01000   3.01000   3.01000
10