REMARK  Name = BDB004546
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.684  -1.781  -2.279  0.00  0.00    +0.062 A 
ATOM      2  C   LIG    1        2.041  -1.573  -1.040  0.00  0.00    +0.085 A 
ATOM      3  C   LIG    1        0.705  -1.077  -1.044  0.00  0.00    +0.023 A 
ATOM      4  C   LIG    1        0.042  -0.861   0.210  0.00  0.00    +0.052 A 
ATOM      5  C   LIG    1        0.737  -1.173   1.389  0.00  0.00    +0.098 A 
ATOM      6  C   LIG    1        2.034  -1.628   1.297  0.00  0.00    +0.128 A 
ATOM      7  C   LIG    1        0.088  -0.811  -2.294  0.00  0.00    +0.012 A 
ATOM      8  C   LIG    1        0.740  -1.022  -3.504  0.00  0.00    +0.001 A 
ATOM      9  N   LIG    1        2.680  -1.828   0.128  0.00  0.00    -0.253 NA
ATOM     10  C   LIG    1        2.035  -1.507  -3.495  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1        4.765  -2.623  -1.270  0.00  0.00    -0.325 N 
ATOM     12  H   LIG    1        4.341  -2.482  -0.357  0.00  0.00    +0.145 HD
ATOM     13  H   LIG    1        5.719  -2.943  -1.340  0.00  0.00    +0.145 HD
ATOM     14  C   LIG    1        4.085  -2.297  -2.406  0.00  0.00    +0.244 C 
ATOM     15  O   LIG    1        4.625  -2.429  -3.500  0.00  0.00    -0.270 OA
ENDBRANCH   1  14
BRANCH   5  16
ATOM     16  C   LIG    1        0.187  -1.079   2.748  0.00  0.00    +0.340 C 
ATOM     17  O   LIG    1        0.759  -0.581   3.700  0.00  0.00    -0.245 OA
BRANCH  16  18
ATOM     18  O   LIG    1       -1.000  -1.694   2.871  0.00  0.00    -0.477 OA
ATOM     19  H   LIG    1       -1.246  -1.591   3.813  0.00  0.00    +0.295 HD
ENDBRANCH  16  18
ENDBRANCH   5  16
BRANCH   4  20
ATOM     20  N   LIG    1       -1.243  -0.275   0.260  0.00  0.00    -0.339 N 
ATOM     21  H   LIG    1       -1.799  -0.388  -0.581  0.00  0.00    +0.146 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -1.357   1.075   0.846  0.00  0.00    +0.084 C 
ATOM     23  C   LIG    1       -2.761   1.208   1.498  0.00  0.00    +0.103 C 
ATOM     24  N   LIG    1       -3.197   2.599   1.657  0.00  0.00    -0.314 NA
ATOM     25  H   LIG    1       -2.517   3.094   2.235  0.00  0.00    +0.122 HD
ATOM     26  C   LIG    1       -3.318   3.281   0.364  0.00  0.00    +0.081 C 
ATOM     27  C   LIG    1       -2.469   2.682  -0.763  0.00  0.00    +0.017 C 
ATOM     28  C   LIG    1       -1.139   2.156  -0.231  0.00  0.00    +0.025 C 
ENDBRANCH  20  22
ENDBRANCH   4  20
TORSDOF 5