Mal-Adipamide-Ala-Ala
     RDKit          2D

 29 29  0  0  1  0  0  0  0  0999 V2000
   -5.7271   -1.9437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3693   -0.4870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9288   -0.0685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2734    2.0238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0998   -3.0910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6268    1.9796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8923    0.1328    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6536    2.4264    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9982   -0.4711    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9617   -0.6724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1675   -2.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2501   -1.3239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6906   -1.7424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0941    2.0080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4519    0.5513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0479    0.7684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1305    1.8067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3925    1.1869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1767    3.0462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5710    1.3882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4752    0.1487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9156    0.5671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4387   -0.0526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5213   -1.0909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1470   -1.5918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4699    0.7389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3876   -0.7487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9691    0.6918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5253   -3.8188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0
  2 15  2  0
  3 20  2  0
  4 22  2  0
  5 25  2  0
  6 26  2  0
  7 12  1  0
  7 15  1  0
  8 14  1  0
  8 20  1  0
  9 22  1  0
  9 23  1  0
 10 24  1  0
 10 25  1  0
 10 26  1  0
 11 12  1  0
 11 29  1  0
 12 13  1  0
 14 15  1  0
 14 19  1  0
 16 17  1  0
 16 18  1  0
 17 20  1  0
 18 21  1  0
 21 22  1  0
 23 24  1  0
 25 27  1  0
 26 28  1  0
 27 28  2  0
M  END
>  <s_m_entry_id>  (1) 
17

>  <s_m_entry_name>  (1) 
entry

>  <r_f3d_energy>  (1) 
0

>  <i_f3d_flags>  (1) 
0

$$$$
