REMARK  Name = BDB031330
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.097  -0.644   0.418  0.00  0.00    -0.269 N 
ATOM      2  H   LIG    1       -0.124  -1.558   0.842  0.00  0.00    +0.156 HD
ATOM      3  C   LIG    1       -1.327  -0.099   0.076  0.00  0.00    +0.308 C 
ATOM      4  N   LIG    1       -2.346  -0.772   0.738  0.00  0.00    -0.269 N 
ATOM      5  H   LIG    1       -2.061  -1.335   1.524  0.00  0.00    +0.156 HD
ATOM      6  O   LIG    1       -1.491   0.837  -0.695  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -3.737  -0.594   0.574  0.00  0.00    +0.037 A 
ATOM      8  C   LIG    1       -4.302   0.182  -0.447  0.00  0.00    +0.051 A 
ATOM      9  C   LIG    1       -5.676   0.256  -0.492  0.00  0.00    +0.069 A 
ATOM     10  C   LIG    1       -6.491  -0.405   0.422  0.00  0.00    +0.067 A 
ATOM     11  N   LIG    1       -7.814  -0.125   0.100  0.00  0.00    -0.306 N 
ATOM     12  H   LIG    1       -8.643  -0.451   0.568  0.00  0.00    +0.170 HD
ATOM     13  C   LIG    1       -7.835   0.716  -1.023  0.00  0.00    +0.325 A 
ATOM     14  O   LIG    1       -8.824   1.160  -1.577  0.00  0.00    -0.247 OA
ATOM     15  C   LIG    1       -5.976  -1.178   1.431  0.00  0.00    +0.029 A 
ATOM     16  N   LIG    1       -6.498   0.943  -1.379  0.00  0.00    -0.306 N 
ATOM     17  H   LIG    1       -6.210   1.519  -2.153  0.00  0.00    +0.170 HD
ATOM     18  C   LIG    1       -4.579  -1.270   1.498  0.00  0.00    +0.025 A 
ENDBRANCH   4   7
BRANCH   1  22
ATOM     19  C   LIG    1        3.805   0.640  -0.595  0.00  0.00    +0.059 A 
ATOM     20  C   LIG    1        2.712   1.461  -0.891  0.00  0.00    +0.017 A 
ATOM     21  C   LIG    1        1.410   1.058  -0.568  0.00  0.00    +0.024 A 
ATOM     22  C   LIG    1        1.181  -0.172   0.051  0.00  0.00    +0.035 A 
ATOM     23  C   LIG    1        2.277  -0.989   0.354  0.00  0.00    +0.024 A 
ATOM     24  C   LIG    1        3.581  -0.590   0.033  0.00  0.00    +0.017 A 
BRANCH  19  25
ATOM     25  C   LIG    1        5.167   1.118  -0.959  0.00  0.00    +0.339 C 
ATOM     26  O   LIG    1        5.386   2.193  -1.493  0.00  0.00    -0.245 OA
BRANCH  25  27
ATOM     27  O   LIG    1        6.103   0.198  -0.615  0.00  0.00    -0.461 OA
BRANCH  27  29
ATOM     28  C   LIG    1        8.373  -0.537  -0.498  0.00  0.00    +0.048 C 
ATOM     29  C   LIG    1        7.446   0.581  -0.935  0.00  0.00    +0.229 C 
ENDBRANCH  27  29
ENDBRANCH  25  27
ENDBRANCH  19  25
ENDBRANCH   1  22
TORSDOF 5