REMARK  Name = BDB045757
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.650   0.253   0.226  0.00  0.00    +0.049 A 
ATOM      2  C   LIG    1       -1.252   0.431   0.152  0.00  0.00    +0.071 A 
ATOM      3  N   LIG    1       -0.726   1.732   0.224  0.00  0.00    -0.320 N 
ATOM      4  H   LIG    1       -1.345   2.524   0.290  0.00  0.00    +0.169 HD
ATOM      5  C   LIG    1        0.607   2.040   0.166  0.00  0.00    +0.257 A 
ATOM      6  C   LIG    1        1.567   0.915   0.046  0.00  0.00    +0.047 A 
ATOM      7  C   LIG    1        1.090  -0.408  -0.037  0.00  0.00    -0.004 A 
ATOM      8  C   LIG    1        2.056  -1.427  -0.141  0.00  0.00    +0.009 A 
ATOM      9  C   LIG    1        3.427  -1.138  -0.167  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        3.869   0.178  -0.088  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        2.940   1.207   0.019  0.00  0.00    +0.014 A 
ATOM     12  O   LIG    1        0.984   3.207   0.214  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1       -0.369  -0.659  -0.009  0.00  0.00    +0.008 A 
ATOM     14  C   LIG    1       -0.942  -1.935  -0.155  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1       -2.328  -2.113  -0.155  0.00  0.00    +0.003 A 
ATOM     16  C   LIG    1       -3.174  -1.022   0.015  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1  17
ATOM     17  N   LIG    1       -3.553   1.336   0.285  0.00  0.00    -0.356 N 
ATOM     18  H   LIG    1       -3.811   1.638  -0.653  0.00  0.00    +0.142 HD
ATOM     19  H   LIG    1       -3.197   2.119   0.821  0.00  0.00    +0.142 HD
ENDBRANCH   1  17
TORSDOF 1