REMARK  Name = BDB036950
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.146  -0.004  -0.213  0.00  0.00    -0.303 N 
ATOM      2  C   LIG    1        0.821   0.963   0.096  0.00  0.00    +0.260 A 
ATOM      3  O   LIG    1        0.562   2.153   0.265  0.00  0.00    -0.267 OA
ATOM      4  C   LIG    1        2.224   0.490   0.240  0.00  0.00    +0.047 A 
ATOM      5  C   LIG    1        2.506  -0.874   0.097  0.00  0.00    -0.011 A 
ATOM      6  C   LIG    1        3.825  -1.320   0.236  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1        4.848  -0.410   0.516  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        4.562   0.948   0.658  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        1.422  -1.806  -0.193  0.00  0.00    +0.026 A 
ATOM     10  C   LIG    1        3.250   1.401   0.521  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1        0.174  -1.348  -0.332  0.00  0.00    +0.090 A 
ENDROOT
BRANCH   1  18
ATOM     12  O   LIG    1       -5.655   0.044  -0.568  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -4.441   0.203  -0.495  0.00  0.00    +0.219 C 
ATOM     14  N   LIG    1       -3.635  -0.007  -1.585  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -4.103  -0.343  -2.417  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -2.258  -0.064  -1.616  0.00  0.00    +0.242 C 
ATOM     17  O   LIG    1       -1.687  -0.467  -2.627  0.00  0.00    -0.273 OA
ATOM     18  C   LIG    1       -1.543   0.445  -0.353  0.00  0.00    +0.176 C 
ATOM     19  C   LIG    1       -2.362   0.092   0.891  0.00  0.00    +0.044 C 
ATOM     20  C   LIG    1       -3.761   0.674   0.767  0.00  0.00    +0.099 C 
ENDBRANCH   1  18
TORSDOF 1