REMARK  Name = BDB056529
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.545   2.584   0.642  0.00  0.00    -0.311 N 
ATOM      2  H   LIG    1       -2.919   1.829   0.362  0.00  0.00    +0.147 HD
ATOM      3  H   LIG    1       -3.181   3.354   1.183  0.00  0.00    +0.147 HD
ATOM      4  C   LIG    1       -4.877   2.536   0.365  0.00  0.00    +0.317 C 
ATOM      5  N   LIG    1       -5.271   1.391  -0.361  0.00  0.00    -0.255 N 
ATOM      6  C   LIG    1       -4.479   0.342  -0.821  0.00  0.00    +0.149 A 
ATOM      7  C   LIG    1       -5.300  -0.574  -1.476  0.00  0.00    +0.019 A 
ATOM      8  C   LIG    1       -4.698  -1.718  -2.017  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -3.319  -1.864  -1.860  0.00  0.00    +0.029 A 
ATOM     10  C   LIG    1       -2.586  -0.887  -1.184  0.00  0.00    +0.073 A 
ATOM     11  C   LIG    1       -6.622  -0.073  -1.425  0.00  0.00    +0.030 A 
ATOM     12  N   LIG    1       -3.138   0.235  -0.655  0.00  0.00    -0.229 NA
ATOM     13  C   LIG    1       -6.580   1.122  -0.745  0.00  0.00    +0.098 A 
ATOM     14  O   LIG    1       -5.697   3.379   0.697  0.00  0.00    -0.249 OA
ENDROOT
BRANCH  10  15
ATOM     15  C   LIG    1       -1.124  -1.000  -0.999  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -0.293   0.126  -1.163  0.00  0.00    +0.011 A 
ATOM     17  C   LIG    1        1.093   0.038  -0.995  0.00  0.00    +0.014 A 
ATOM     18  C   LIG    1        1.671  -1.181  -0.638  0.00  0.00    +0.037 A 
ATOM     19  C   LIG    1        0.872  -2.316  -0.487  0.00  0.00    +0.014 A 
ATOM     20  C   LIG    1       -0.513  -2.222  -0.658  0.00  0.00    +0.011 A 
BRANCH  18  21
ATOM     21  C   LIG    1        3.137  -1.313  -0.478  0.00  0.00    +0.247 C 
ATOM     22  N   LIG    1        3.806  -0.442   0.381  0.00  0.00    -0.298 N 
ATOM     23  C   LIG    1        3.147   0.370   1.409  0.00  0.00    +0.108 C 
ATOM     24  C   LIG    1        3.998   0.493   2.668  0.00  0.00    +0.019 C 
ATOM     25  C   LIG    1        5.378   1.084   2.376  0.00  0.00    +0.003 C 
ATOM     26  C   LIG    1        5.881   0.760   0.970  0.00  0.00    +0.019 C 
ATOM     27  C   LIG    1        5.264  -0.520   0.421  0.00  0.00    +0.108 C 
ATOM     28  O   LIG    1        3.702  -2.195  -1.122  0.00  0.00    -0.270 OA
ENDBRANCH  18  21
ENDBRANCH  10  15
TORSDOF 2