Mal-acetic Acid
                    3D
 Structure written by MMmdl.
 16 16  0  0  1  0            999 V2000
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0
   -0.7450    0.9735    0.0000 O   0  0  0  0  0  0
    1.9867    0.0000    1.3765 N   0  0  0  0  0  0
    2.2309    1.1110    2.0672 C   0  0  0  0  0  0
    2.6832    0.6699    3.3466 C   0  0  0  0  0  0
    2.6832   -0.6699    3.3466 C   0  0  0  0  0  0
    2.2309   -1.1110    2.0672 C   0  0  0  0  0  0
    2.0891    2.2656    1.6663 O   0  0  0  0  0  0
    2.0891   -2.2656    1.6663 O   0  0  0  0  0  0
   -0.4492   -1.2808   -0.0000 O   0  0  0  0  0  0
    1.8633    0.8900   -0.5138 H   0  0  0  0  0  0
    1.8633   -0.8900   -0.5138 H   0  0  0  0  0  0
    2.9688    1.3283    4.1543 H   0  0  0  0  0  0
    2.9688   -1.3283    4.1543 H   0  0  0  0  0  0
   -1.3927   -1.2671   -0.0000 H   0  0  0  0  0  0
  1  2  1  0  0  0
  1  3  2  0  0  0
  1 11  1  0  0  0
  2  4  1  0  0  0
  2 12  1  0  0  0
  2 13  1  0  0  0
  4  8  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5  9  2  0  0  0
  6  7  2  0  0  0
  6 14  1  0  0  0
  7  8  1  0  0  0
  7 15  1  0  0  0
  8 10  2  0  0  0
 11 16  1  0  0  0
M  END
> <s_m_entry_id>
110

> <s_m_entry_name>
entry

> <r_f3d_energy>
0

> <i_f3d_flags>
0

$$$$
