REMARK  Name = BDB044025
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.290   0.250   0.110  0.00  0.00    +0.141 A 
ATOM      2  N   LIG    1        0.876   1.489   0.235  0.00  0.00    -0.306 N 
ATOM      3  H   LIG    1        0.323   2.332   0.282  0.00  0.00    +0.170 HD
ATOM      4  C   LIG    1        2.232   1.694   0.198  0.00  0.00    +0.259 A 
ATOM      5  O   LIG    1        2.722   2.815   0.274  0.00  0.00    -0.267 OA
ATOM      6  C   LIG    1        3.054   0.483   0.054  0.00  0.00    +0.065 A 
ATOM      7  C   LIG    1        2.384  -0.736  -0.063  0.00  0.00    +0.078 A 
ATOM      8  C   LIG    1        3.140  -1.901  -0.205  0.00  0.00    +0.028 A 
ATOM      9  C   LIG    1        4.538  -1.844  -0.230  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        5.193  -0.617  -0.113  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        4.451   0.555   0.029  0.00  0.00    +0.015 A 
ATOM     12  N   LIG    1        0.982  -0.835  -0.044  0.00  0.00    -0.229 NA
ENDROOT
BRANCH   1  17
ATOM     13  C   LIG    1       -5.502  -0.037   0.171  0.00  0.00    +0.044 C 
ATOM     14  C   LIG    1       -4.005   0.061   0.140  0.00  0.00    -0.050 A 
ATOM     15  C   LIG    1       -3.345   1.062   0.865  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1       -1.949   1.137   0.865  0.00  0.00    +0.012 A 
ATOM     17  C   LIG    1       -1.197   0.205   0.139  0.00  0.00    +0.017 A 
ATOM     18  C   LIG    1       -1.853  -0.814  -0.561  0.00  0.00    +0.012 A 
ATOM     19  C   LIG    1       -3.248  -0.885  -0.560  0.00  0.00    +0.004 A 
ENDBRANCH   1  17
TORSDOF 1