REMARK  Name = BDB048216
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.710  -1.275  -0.038  0.00  0.00    +0.003 A 
ATOM      2  C   LIG    1        1.700  -0.316  -0.224  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1        0.355  -0.641   0.055  0.00  0.00    +0.009 A 
ATOM      4  C   LIG    1        0.079  -1.926   0.530  0.00  0.00    +0.048 A 
ATOM      5  N   LIG    1       -1.277  -2.005   0.736  0.00  0.00    -0.354 N 
ATOM      6  H   LIG    1       -1.754  -2.824   1.084  0.00  0.00    +0.166 HD
ATOM      7  C   LIG    1       -1.893  -0.822   0.416  0.00  0.00    +0.052 A 
ATOM      8  C   LIG    1       -3.246  -0.453   0.476  0.00  0.00    -0.020 A 
ATOM      9  C   LIG    1       -4.454  -1.252   0.882  0.00  0.00    +0.038 C 
ATOM     10  C   LIG    1       -5.482  -0.137   1.122  0.00  0.00    +0.009 C 
ATOM     11  C   LIG    1       -5.106   1.021   0.184  0.00  0.00    +0.036 C 
ATOM     12  C   LIG    1       -3.627   0.836   0.078  0.00  0.00    -0.029 A 
ATOM     13  C   LIG    1       -2.670   1.705  -0.374  0.00  0.00    +0.056 A 
ATOM     14  C   LIG    1       -2.776   3.075  -0.870  0.00  0.00    +0.260 A 
ATOM     15  O   LIG    1       -3.800   3.716  -0.982  0.00  0.00    -0.267 OA
ATOM     16  N   LIG    1       -1.511   3.463  -1.179  0.00  0.00    -0.289 N 
ATOM     17  H   LIG    1       -1.280   4.364  -1.566  0.00  0.00    +0.172 HD
ATOM     18  C   LIG    1       -0.593   2.479  -0.963  0.00  0.00    +0.260 A 
ATOM     19  O   LIG    1        0.597   2.549  -1.190  0.00  0.00    -0.267 OA
ATOM     20  C   LIG    1       -1.329   1.335  -0.427  0.00  0.00    +0.062 A 
ATOM     21  C   LIG    1        1.069  -2.894   0.736  0.00  0.00    +0.027 A 
ATOM     22  C   LIG    1       -0.892   0.061  -0.029  0.00  0.00    +0.021 A 
ATOM     23  C   LIG    1        2.390  -2.545   0.447  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1  29
ATOM     24  C   LIG    1        6.903   1.246   0.519  0.00  0.00    +0.073 C 
ATOM     25  C   LIG    1        5.944   0.252  -0.034  0.00  0.00    +0.077 A 
ATOM     26  S   LIG    1        6.417  -0.771  -1.332  0.00  0.00    -0.065 S 
ATOM     27  C   LIG    1        4.867  -1.477  -1.317  0.00  0.00    +0.082 A 
ATOM     28 BR   LIG    1        4.353  -2.834  -2.561  0.00  0.00    -0.040 Br
ATOM     29  C   LIG    1        4.087  -0.916  -0.327  0.00  0.00    +0.092 A 
ATOM     30  N   LIG    1        4.714   0.084   0.403  0.00  0.00    -0.243 NA
ENDBRANCH   1  29
TORSDOF 1