REMARK  Name = BDB002131
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.884   1.765   0.298  0.00  0.00    -0.243 N 
ATOM      2  C   LIG    1       -2.583   0.581   0.422  0.00  0.00    +0.186 A 
ATOM      3  C   LIG    1       -1.727  -0.640   0.430  0.00  0.00    +0.174 A 
ATOM      4  C   LIG    1       -2.386  -1.972   0.612  0.00  0.00    +0.284 A 
ATOM      5  N   LIG    1       -3.749  -1.902   0.805  0.00  0.00    -0.261 N 
ATOM      6  C   LIG    1       -4.494  -0.739   0.640  0.00  0.00    +0.353 A 
ATOM      7  O   LIG    1       -5.721  -0.790   0.590  0.00  0.00    -0.244 OA
ATOM      8  C   LIG    1       -4.475  -3.147   0.964  0.00  0.00    +0.157 C 
ATOM      9  O   LIG    1       -1.721  -2.998   0.561  0.00  0.00    -0.265 OA
ATOM     10  N   LIG    1       -0.439  -0.563   0.290  0.00  0.00    -0.218 NA
ATOM     11  C   LIG    1        0.121   0.677   0.128  0.00  0.00    +0.174 A 
ATOM     12  N   LIG    1       -3.865   0.470   0.524  0.00  0.00    -0.172 NA
ATOM     13  N   LIG    1       -0.524   1.806   0.122  0.00  0.00    -0.150 NA
ENDROOT
BRANCH   1  15
ATOM     14  C   LIG    1       -2.958   3.341  -1.242  0.00  0.00    +0.029 C 
ATOM     15  C   LIG    1       -2.566   3.054   0.199  0.00  0.00    +0.142 C 
ENDBRANCH   1  15
BRANCH  11  16
ATOM     16  C   LIG    1        1.595   0.662  -0.058  0.00  0.00    +0.050 C 
ATOM     17  C   LIG    1        2.342  -0.453  -0.028  0.00  0.00    +0.011 C 
BRANCH  17  18
ATOM     18  C   LIG    1        3.799  -0.469  -0.224  0.00  0.00    -0.025 A 
ATOM     19  C   LIG    1        4.636   0.537   0.275  0.00  0.00    +0.008 A 
ATOM     20  C   LIG    1        6.020   0.468   0.089  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        6.581  -0.613  -0.588  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        5.760  -1.628  -1.074  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1        4.377  -1.559  -0.888  0.00  0.00    +0.008 A 
ENDBRANCH  17  18
ENDBRANCH  11  16
TORSDOF 3