alanine.MOL


 13 12  0  0  0
    0.3023    0.0828    0.6972 C   0  0  0  0  0
   -0.8540    0.8373   -0.0110 C   0  0  0  0  0
   -0.8780    2.0423   -0.2569 O   0  0  0  0  0
   -1.9178    0.0792   -0.3809 O   0  0  0  0  0
   -0.1133   -0.8919    1.7086 N   0  0  0  0  0
    1.2584   -0.5674   -0.3306 C   0  0  0  0  0
    0.8900    0.8683    1.2487 H   0  0  0  0  0
   -2.6181    0.5413   -0.8256 H   0  0  0  0  0
   -0.7196   -0.4587    2.3872 H   0  0  0  0  0
   -0.6389   -1.6532    1.3091 H   0  0  0  0  0
    1.6475    0.1992   -1.0316 H   0  0  0  0  0
    0.7671   -1.3579   -0.9322 H   0  0  0  0  0
    2.1302   -1.0220    0.1819 H   0  0  0  0  0
  1  2  1  6  0  0
  1  5  1  1  0  0
  1  6  1  6  0  0
  1  7  1  1  0  0
  2  3  2  0  0  0
  2  4  1  0  0  0
  4  8  1  6  0  0
  5  9  1  1  0  0
  5 10  1  0  0  0
  6 11  1  6  0  0
  6 12  1  6  0  0
  6 13  1  1  0  0