REMARK  Name = BDB025260
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.068   0.351  -0.219  0.00  0.00    -0.313 N 
ATOM      2  C   LIG    1       -0.884   1.306   0.342  0.00  0.00    +0.142 A 
ATOM      3  C   LIG    1       -2.201   0.894   0.183  0.00  0.00    +0.027 A 
ATOM      4  C   LIG    1       -3.209   1.739   0.681  0.00  0.00    +0.013 A 
ATOM      5  C   LIG    1       -2.818   2.926   1.299  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1       -1.465   3.213   1.400  0.00  0.00    +0.113 A 
ATOM      7  C   LIG    1       -2.171  -0.369  -0.477  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1       -3.176  -1.270  -0.890  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1       -2.821  -2.466  -1.520  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -1.484  -2.772  -1.744  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1       -0.467  -1.898  -1.347  0.00  0.00    +0.026 A 
ATOM     12  N   LIG    1       -0.457   2.437   0.944  0.00  0.00    -0.237 NA
ATOM     13  C   LIG    1       -0.829  -0.696  -0.712  0.00  0.00    +0.052 A 
ENDROOT
BRANCH   1  20
ATOM     14  O   LIG    1        5.257  -0.942  -0.678  0.00  0.00    -0.275 OA
ATOM     15  C   LIG    1        4.096  -0.580  -0.513  0.00  0.00    +0.219 C 
ATOM     16  N   LIG    1        3.288  -0.283  -1.582  0.00  0.00    -0.255 N 
ATOM     17  H   LIG    1        3.714  -0.371  -2.495  0.00  0.00    +0.158 HD
ATOM     18  C   LIG    1        2.024   0.269  -1.565  0.00  0.00    +0.242 C 
ATOM     19  O   LIG    1        1.513   0.638  -2.619  0.00  0.00    -0.273 OA
ATOM     20  C   LIG    1        1.391   0.447  -0.193  0.00  0.00    +0.176 C 
ATOM     21  C   LIG    1        1.993  -0.518   0.832  0.00  0.00    +0.044 C 
ATOM     22  C   LIG    1        3.504  -0.361   0.857  0.00  0.00    +0.099 C 
ENDBRANCH   1  20
TORSDOF 1