REMARK  Name = BDB045607
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.148  -0.891  -2.442  0.00  0.00    +0.129 C 
ATOM      2  N   LIG    1       -2.348  -0.462  -1.058  0.00  0.00    -0.333 N 
ATOM      3  C   LIG    1       -1.301  -0.043  -0.215  0.00  0.00    +0.040 A 
ATOM      4  C   LIG    1        0.088  -0.210  -0.624  0.00  0.00    +0.049 A 
ATOM      5  C   LIG    1        1.100   0.198   0.159  0.00  0.00    +0.051 A 
ATOM      6  N   LIG    1        0.830   0.776   1.371  0.00  0.00    -0.322 N 
ATOM      7  H   LIG    1        1.589   1.101   1.956  0.00  0.00    +0.169 HD
ATOM      8  C   LIG    1       -0.433   0.979   1.858  0.00  0.00    +0.254 A 
ATOM      9  O   LIG    1       -0.626   1.512   2.946  0.00  0.00    -0.268 OA
ATOM     10  C   LIG    1       -1.554   0.517   0.989  0.00  0.00    +0.038 A 
ATOM     11  C   LIG    1       -2.945   0.702   1.521  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1       -3.964  -0.149   0.767  0.00  0.00    +0.024 C 
ATOM     13  C   LIG    1       -3.732  -0.068  -0.736  0.00  0.00    +0.105 C 
ENDROOT
BRANCH   5  14
ATOM     14  C   LIG    1        2.507   0.030  -0.233  0.00  0.00    -0.002 A 
ATOM     15  C   LIG    1        2.999   0.612  -1.410  0.00  0.00    +0.010 A 
ATOM     16  C   LIG    1        4.339   0.457  -1.771  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        5.199  -0.281  -0.959  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        4.722  -0.862   0.215  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        3.382  -0.706   0.577  0.00  0.00    +0.010 A 
ENDBRANCH   5  14
TORSDOF 1