REMARK  Name = BDB031340
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.654  -1.806   2.142  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -0.748  -1.444   0.976  0.00  0.00    +0.249 C 
ATOM      3  N   LIG    1        0.215  -0.806   0.219  0.00  0.00    -0.281 N 
ATOM      4  H   LIG    1       -0.027  -0.598  -0.742  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.490  -0.368   0.638  0.00  0.00    +0.036 A 
ATOM      6  C   LIG    1        2.259   0.327  -0.311  0.00  0.00    +0.051 A 
ATOM      7  C   LIG    1        3.503   0.764   0.084  0.00  0.00    +0.069 A 
ATOM      8  C   LIG    1        3.999   0.538   1.363  0.00  0.00    +0.067 A 
ATOM      9  N   LIG    1        5.267   1.101   1.439  0.00  0.00    -0.306 N 
ATOM     10  H   LIG    1        5.886   1.109   2.232  0.00  0.00    +0.170 HD
ATOM     11  C   LIG    1        5.573   1.688   0.202  0.00  0.00    +0.325 A 
ATOM     12  O   LIG    1        6.600   2.273  -0.092  0.00  0.00    -0.247 OA
ATOM     13  C   LIG    1        3.276  -0.135   2.315  0.00  0.00    +0.029 A 
ATOM     14  N   LIG    1        4.466   1.469  -0.631  0.00  0.00    -0.306 N 
ATOM     15  H   LIG    1        4.411   1.793  -1.582  0.00  0.00    +0.170 HD
ATOM     16  C   LIG    1        2.003  -0.590   1.938  0.00  0.00    +0.025 A 
ENDBRANCH   3   5
BRANCH   2  17
ATOM     17  C   LIG    1       -2.018  -1.746   0.256  0.00  0.00    +0.045 A 
ATOM     18  C   LIG    1       -2.741  -0.787  -0.491  0.00  0.00    -0.006 A 
ATOM     19  C   LIG    1       -3.920  -1.218  -1.134  0.00  0.00    +0.009 A 
ATOM     20  C   LIG    1       -4.369  -2.538  -1.032  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1       -3.655  -3.461  -0.278  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1       -2.486  -3.067   0.369  0.00  0.00    +0.013 A 
BRANCH  18  23
ATOM     23  C   LIG    1       -2.349   0.630  -0.604  0.00  0.00    -0.014 A 
ATOM     24  C   LIG    1       -2.181   1.433   0.530  0.00  0.00    +0.028 A 
ATOM     25  C   LIG    1       -1.788   2.752   0.367  0.00  0.00    +0.111 A 
ATOM     26  N   LIG    1       -1.563   3.324  -0.834  0.00  0.00    -0.263 NA
ATOM     27  C   LIG    1       -1.746   2.548  -1.919  0.00  0.00    +0.111 A 
ATOM     28  C   LIG    1       -2.130   1.217  -1.857  0.00  0.00    +0.028 A 
ENDBRANCH  18  23
ENDBRANCH   2  17
TORSDOF 3