REMARK  Name = BDB047895
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.189  -0.362   0.054  0.00  0.00    +0.142 A 
ATOM      2  N   LIG    1       -0.600  -1.651  -0.207  0.00  0.00    -0.306 N 
ATOM      3  H   LIG    1        0.053  -2.420  -0.211  0.00  0.00    +0.170 HD
ATOM      4  C   LIG    1       -1.913  -2.014  -0.374  0.00  0.00    +0.260 A 
ATOM      5  O   LIG    1       -2.248  -3.177  -0.565  0.00  0.00    -0.267 OA
ATOM      6  C   LIG    1       -2.889  -0.917  -0.300  0.00  0.00    +0.068 A 
ATOM      7  C   LIG    1       -2.391   0.358  -0.039  0.00  0.00    +0.120 A 
ATOM      8  C   LIG    1       -3.302   1.415   0.035  0.00  0.00    +0.143 A 
ATOM      9  C   LIG    1       -4.668   1.218  -0.139  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -5.148  -0.068  -0.396  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1       -4.259  -1.142  -0.477  0.00  0.00    +0.015 A 
ATOM     12  N   LIG    1       -1.019   0.629   0.152  0.00  0.00    -0.225 NA
ENDROOT
BRANCH   1  17
ATOM     13  C   LIG    1        5.481   0.550   0.837  0.00  0.00    +0.044 C 
ATOM     14  C   LIG    1        4.015   0.289   0.649  0.00  0.00    -0.050 A 
ATOM     15  C   LIG    1        3.581  -0.696  -0.247  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1        2.216  -0.920  -0.449  0.00  0.00    +0.012 A 
ATOM     17  C   LIG    1        1.270  -0.154   0.242  0.00  0.00    +0.017 A 
ATOM     18  C   LIG    1        1.701   0.851   1.115  0.00  0.00    +0.012 A 
ATOM     19  C   LIG    1        3.066   1.071   1.316  0.00  0.00    +0.004 A 
ENDBRANCH   1  17
BRANCH   8  20
ATOM     20  O   LIG    1       -2.842   2.680   0.283  0.00  0.00    -0.505 OA
ATOM     21  H   LIG    1       -1.871   2.571   0.350  0.00  0.00    +0.292 HD
ENDBRANCH   8  20
TORSDOF 2