REMARK  Name = BDB031327
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.759   0.285  -1.819  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        0.583  -0.652  -1.053  0.00  0.00    +0.249 C 
ATOM      3  N   LIG    1        1.424  -1.093  -0.048  0.00  0.00    -0.281 N 
ATOM      4  H   LIG    1        1.077  -1.846   0.533  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        2.691  -0.574   0.294  0.00  0.00    +0.036 A 
ATOM      6  C   LIG    1        3.310   0.471  -0.402  0.00  0.00    +0.051 A 
ATOM      7  C   LIG    1        4.549   0.873   0.043  0.00  0.00    +0.069 A 
ATOM      8  C   LIG    1        5.180   0.282   1.134  0.00  0.00    +0.067 A 
ATOM      9  N   LIG    1        6.404   0.915   1.317  0.00  0.00    -0.306 N 
ATOM     10  H   LIG    1        7.096   0.721   2.021  0.00  0.00    +0.170 HD
ATOM     11  C   LIG    1        6.548   1.910   0.338  0.00  0.00    +0.325 A 
ATOM     12  O   LIG    1        7.498   2.659   0.200  0.00  0.00    -0.247 OA
ATOM     13  C   LIG    1        4.606  -0.744   1.839  0.00  0.00    +0.029 A 
ATOM     14  N   LIG    1        5.386   1.871  -0.446  0.00  0.00    -0.306 N 
ATOM     15  H   LIG    1        5.212   2.480  -1.229  0.00  0.00    +0.170 HD
ATOM     16  C   LIG    1        3.343  -1.172   1.406  0.00  0.00    +0.025 A 
ENDBRANCH   3   5
BRANCH   2  17
ATOM     17  C   LIG    1       -0.679  -1.432  -1.159  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1       -1.937  -0.799  -1.088  0.00  0.00    -0.031 A 
ATOM     19  C   LIG    1       -3.081  -1.601  -1.256  0.00  0.00    +0.005 A 
ATOM     20  C   LIG    1       -2.977  -2.982  -1.448  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -1.727  -3.591  -1.500  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1       -0.577  -2.818  -1.363  0.00  0.00    +0.013 A 
BRANCH  18  23
ATOM     23  C   LIG    1       -2.053   0.705  -0.907  0.00  0.00    +0.071 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.296   1.191  -0.190  0.00  0.00    -0.043 A 
ATOM     25  C   LIG    1       -3.452   0.976   1.188  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -4.601   1.417   1.847  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -5.602   2.077   1.138  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -5.457   2.298  -0.230  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -4.310   1.858  -0.892  0.00  0.00    +0.004 A 
ENDBRANCH  23  24
ENDBRANCH  18  23
ENDBRANCH   2  17
TORSDOF 4