REMARK  Name = BDB000983
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.435  -0.651  -0.301  0.00  0.00    +0.128 A 
ATOM      2  N   LIG    1        0.612   0.062   0.233  0.00  0.00    -0.340 N 
ATOM      3  H   LIG    1        0.529   0.658   1.046  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1        1.735  -0.180  -0.512  0.00  0.00    +0.078 A 
ATOM      5  C   LIG    1        1.312  -1.102  -1.464  0.00  0.00    +0.090 A 
ATOM      6  C   LIG    1        2.238  -1.620  -2.382  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1        3.574  -1.206  -2.305  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1        3.977  -0.277  -1.343  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1        3.058   0.272  -0.435  0.00  0.00    +0.062 A 
ATOM     10  N   LIG    1       -0.029  -1.367  -1.331  0.00  0.00    -0.231 NA
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1       -2.089  -1.890   1.069  0.00  0.00    +0.036 C 
ATOM     12  C   LIG    1       -1.819  -0.591   0.297  0.00  0.00    +0.075 C 
ATOM     13  N   LIG    1       -1.931   0.572   1.228  0.00  0.00    -0.305 NA
ATOM     14  H   LIG    1       -2.551   0.299   1.994  0.00  0.00    +0.123 HD
ATOM     15  C   LIG    1       -2.609   1.631   0.469  0.00  0.00    +0.082 C 
ATOM     16  C   LIG    1       -3.638   0.883  -0.346  0.00  0.00    +0.017 C 
ATOM     17  C   LIG    1       -2.886  -0.359  -0.792  0.00  0.00    +0.031 C 
ENDBRANCH   1  12
BRANCH   9  18
ATOM     18  C   LIG    1        3.511   1.269   0.556  0.00  0.00    +0.244 C 
ATOM     19  O   LIG    1        4.652   1.271   0.995  0.00  0.00    -0.270 OA
ATOM     20  N   LIG    1        2.609   2.234   0.918  0.00  0.00    -0.325 N 
ATOM     21  H   LIG    1        3.009   2.994   1.455  0.00  0.00    +0.145 HD
ATOM     22  H   LIG    1        1.873   2.488   0.272  0.00  0.00    +0.145 HD
ENDBRANCH   9  18
TORSDOF 2