Mal-Adipamide-Ala-Ala
                    3D
 Structure written by MMmdl.
 55 55  0  0  1  0            999 V2000
    7.2118   -6.5446   -2.8183 O   0  0  0  0  0  0
    4.6604   -2.1928   -2.4431 O   0  0  0  0  0  0
    2.2363   -2.0825    1.0022 O   0  0  0  0  0  0
   -2.7363   -0.4949    1.3024 O   0  0  0  0  0  0
   -3.2039    0.3940    6.9938 O   0  0  0  0  0  0
    0.0274   -0.2926    3.8923 O   0  0  0  0  0  0
    4.7248   -4.2950   -1.6438 N   0  0  0  0  0  0
    2.1653   -1.8817   -1.2377 N   0  0  0  0  0  0
   -2.6653    1.5453    2.2484 N   0  0  0  0  0  0
   -1.6754    0.3059    5.2957 N   0  0  0  0  0  0
    6.2944   -5.7321   -2.7896 C   0  0  0  0  0  0
    6.1433   -4.5599   -1.8660 C   0  0  2  0  0  0
    6.8057   -4.8672   -0.5557 C   0  0  0  0  0  0
    2.6382   -3.2192   -1.5828 C   0  0  2  0  0  0
    4.0938   -3.1583   -1.9396 C   0  0  0  0  0  0
    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
   -0.5000    1.4142    0.0000 C   0  0  0  0  0  0
    1.8577   -3.7389   -2.7536 C   0  0  0  0  0  0
    2.0000   -1.4142    0.0000 C   0  0  0  0  0  0
   -2.0000    1.4142   -0.0000 C   0  0  0  0  0  0
   -2.5000    0.7071    1.2247 C   0  0  0  0  0  0
   -3.1382    1.1753    3.5793 C   0  0  0  0  0  0
   -2.0897    1.5183    4.5957 C   0  0  0  0  0  0
   -2.2598   -0.1342    6.4074 C   0  0  0  0  0  0
   -0.6753   -0.4708    4.8865 C   0  0  0  0  0  0
   -1.5603   -1.3278    6.7561 C   0  0  0  0  0  0
   -0.6048   -1.5308    5.8390 C   0  0  0  0  0  0
    5.2312   -5.7802   -3.6320 O   0  0  0  0  0  0
    4.2986   -5.1119   -1.2300 H   0  0  0  0  0  0
    1.9835   -1.3677   -2.0879 H   0  0  0  0  0  0
   -2.4835    2.5386    2.2284 H   0  0  0  0  0  0
    6.6111   -3.6827   -2.3127 H   0  0  0  0  0  0
    7.8647   -5.0650   -0.7215 H   0  0  0  0  0  0
    6.6959   -4.0154    0.1155 H   0  0  0  0  0  0
    6.3378   -5.7445   -0.1089 H   0  0  0  0  0  0
    2.5005   -3.8844   -0.7303 H   0  0  0  0  0  0
   -0.3633   -0.5138    0.8900 H   0  0  0  0  0  0
   -0.3633   -0.5138   -0.8900 H   0  0  0  0  0  0
    1.8633    0.5138    0.8900 H   0  0  0  0  0  0
    1.8633    0.5138   -0.8900 H   0  0  0  0  0  0
   -0.1367    1.9280   -0.8900 H   0  0  0  0  0  0
   -0.1367    1.9280    0.8900 H   0  0  0  0  0  0
    2.2107   -4.7374   -3.0112 H   0  0  0  0  0  0
    0.7999   -3.7831   -2.4943 H   0  0  0  0  0  0
    1.9953   -3.0737   -3.6061 H   0  0  0  0  0  0
   -2.3633    0.9004   -0.8900 H   0  0  0  0  0  0
   -2.3633    2.4419   -0.0000 H   0  0  0  0  0  0
   -3.3368    0.1040    3.6095 H   0  0  0  0  0  0
   -4.0544    1.7212    3.8040 H   0  0  0  0  0  0
   -1.2287    1.9607    4.0945 H   0  0  0  0  0  0
   -2.4981    2.2304    5.3128 H   0  0  0  0  0  0
   -1.7866   -1.9395    7.6175 H   0  0  0  0  0  0
    0.1078   -2.3420    5.7992 H   0  0  0  0  0  0
    5.3381   -6.5207   -4.2069 H   0  0  0  0  0  0
  1 11  2  0  0  0
  2 15  2  0  0  0
  3 20  2  0  0  0
  4 22  2  0  0  0
  5 25  2  0  0  0
  6 26  2  0  0  0
  7 12  1  0  0  0
  7 15  1  0  0  0
  7 30  1  0  0  0
  8 14  1  0  0  0
  8 20  1  0  0  0
  8 31  1  0  0  0
  9 22  1  0  0  0
  9 23  1  0  0  0
  9 32  1  0  0  0
 10 24  1  0  0  0
 10 25  1  0  0  0
 10 26  1  0  0  0
 11 12  1  0  0  0
 11 29  1  0  0  0
 12 13  1  0  0  0
 12 33  1  0  0  0
 13 34  1  0  0  0
 13 35  1  0  0  0
 13 36  1  0  0  0
 14 15  1  0  0  0
 14 19  1  0  0  0
 14 37  1  0  0  0
 16 17  1  0  0  0
 16 18  1  0  0  0
 16 38  1  0  0  0
 16 39  1  0  0  0
 17 20  1  0  0  0
 17 40  1  0  0  0
 17 41  1  0  0  0
 18 21  1  0  0  0
 18 42  1  0  0  0
 18 43  1  0  0  0
 19 44  1  0  0  0
 19 45  1  0  0  0
 19 46  1  0  0  0
 21 22  1  0  0  0
 21 47  1  0  0  0
 21 48  1  0  0  0
 23 24  1  0  0  0
 23 49  1  0  0  0
 23 50  1  0  0  0
 24 51  1  0  0  0
 24 52  1  0  0  0
 25 27  1  0  0  0
 26 28  1  0  0  0
 27 28  2  0  0  0
 27 53  1  0  0  0
 28 54  1  0  0  0
 29 55  1  0  0  0
M  END
> <s_m_entry_id>
17

> <s_m_entry_name>
entry

> <r_f3d_energy>
0

> <i_f3d_flags>
0

$$$$
