1    12  N-MethylAcetamide
2     1  C      1.264977    1.637053    0.223523   130     2     6     7     8
3     2  C      1.648975    1.636385    1.689384   124     1     3     5
4     3  N      0.624609    1.628765    2.568687   126     2     4     9
5     4  C      0.854812    1.627298    3.991018   128     3    10    11    12
6     5  O      2.829287    1.642487    2.041024   125     2
7     6  H      0.163805    1.631025    0.070204   131     1
8     7  H      1.687040    0.740142   -0.280874   131     1
9     8  H      1.676691    2.540727   -0.277344   131     1
10     9  H     -0.356279    1.623728    2.259758   127     3
11    10  H     -0.105840    1.620668    4.552246   129     4
12    11  H      1.420214    2.529698    4.313876   129     4
13    12  H      1.430570    0.730205    4.310344   129     4
14