REMARK  Name = BDB058542
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.655   1.024   2.736  0.00  0.00    +0.155 C 
ATOM      2  N   LIG    1        2.761   0.415   1.422  0.00  0.00    -0.282 N 
ATOM      3  C   LIG    1        4.054   0.201   0.933  0.00  0.00    +0.279 A 
ATOM      4  O   LIG    1        5.088   0.537   1.504  0.00  0.00    -0.265 OA
ATOM      5  C   LIG    1        4.052  -0.458  -0.325  0.00  0.00    +0.130 A 
ATOM      6  C   LIG    1        2.912  -0.824  -0.968  0.00  0.00    +0.097 A 
ATOM      7  C   LIG    1        3.245  -1.453  -2.175  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1        4.627  -1.455  -2.238  0.00  0.00    +0.085 A 
ATOM      9  N   LIG    1        1.646  -0.576  -0.461  0.00  0.00    -0.214 NA
ATOM     10  N   LIG    1        5.110  -0.844  -1.101  0.00  0.00    -0.355 N 
ATOM     11  H   LIG    1        6.084  -0.699  -0.865  0.00  0.00    +0.166 HD
ATOM     12  C   LIG    1        1.612   0.036   0.697  0.00  0.00    +0.199 A 
ENDROOT
BRANCH  12  13
ATOM     13  N   LIG    1        0.380   0.334   1.247  0.00  0.00    -0.312 N 
ATOM     14  H   LIG    1        0.354   1.099   1.906  0.00  0.00    +0.149 HD
BRANCH  13  15
ATOM     15  C   LIG    1       -0.879   0.143   0.520  0.00  0.00    +0.076 C 
ATOM     16  C   LIG    1       -2.028   0.046   1.531  0.00  0.00    +0.041 C 
ATOM     17  C   LIG    1       -3.420   0.213   0.905  0.00  0.00    +0.056 C 
ATOM     18  N   LIG    1       -3.481   1.456   0.131  0.00  0.00    -0.310 NA
ATOM     19  H   LIG    1       -3.259   2.251   0.730  0.00  0.00    +0.122 HD
ATOM     20  C   LIG    1       -2.537   1.401  -0.990  0.00  0.00    +0.056 C 
ATOM     21  C   LIG    1       -2.958   0.293  -1.967  0.00  0.00    +0.019 C 
ATOM     22  C   LIG    1       -3.188  -1.071  -1.320  0.00  0.00    +0.003 C 
ATOM     23  C   LIG    1       -3.886  -0.964   0.034  0.00  0.00    +0.019 C 
ATOM     24  C   LIG    1       -1.096   1.293  -0.470  0.00  0.00    +0.041 C 
ENDBRANCH  13  15
ENDBRANCH  12  13
TORSDOF 2