REMARK  Name = BDB041957
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.262  -0.197   0.050  0.00  0.00    -0.196 N 
ATOM      2  C   LIG    1        1.185  -1.160  -0.306  0.00  0.00    +0.258 C 
ATOM      3  O   LIG    1        1.041  -2.222  -0.885  0.00  0.00    -0.269 OA
ATOM      4  C   LIG    1        2.506  -0.615  -0.013  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1        2.336   0.685   0.413  0.00  0.00    +0.050 A 
ATOM      6  C   LIG    1        3.407   1.492   0.747  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1        4.686   0.937   0.635  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        4.860  -0.391   0.195  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        3.759  -1.185  -0.140  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        0.903   0.966   0.416  0.00  0.00    +0.258 C 
ATOM     11  O   LIG    1        0.454   2.059   0.711  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1  20
ATOM     12  C   LIG    1       -4.241   1.570  -0.428  0.00  0.00    +0.153 C 
ATOM     13  N   LIG    1       -3.353   0.418  -0.350  0.00  0.00    -0.302 N 
ATOM     14  C   LIG    1       -3.885  -0.862  -0.429  0.00  0.00    +0.329 A 
ATOM     15  O   LIG    1       -5.085  -1.116  -0.481  0.00  0.00    -0.246 OA
ATOM     16  N   LIG    1       -2.967  -1.877  -0.413  0.00  0.00    -0.273 N 
ATOM     17  H   LIG    1       -3.375  -2.788  -0.270  0.00  0.00    +0.173 HD
ATOM     18  C   LIG    1       -1.712  -1.719   0.100  0.00  0.00    +0.276 A 
ATOM     19  O   LIG    1       -1.173  -2.609   0.752  0.00  0.00    -0.266 OA
ATOM     20  C   LIG    1       -1.107  -0.359  -0.064  0.00  0.00    +0.125 A 
ATOM     21  C   LIG    1       -1.994   0.638  -0.219  0.00  0.00    +0.119 A 
ENDBRANCH   1  20
TORSDOF 1