REMARK  Name = BDB048271
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.417  -4.281  -0.082  0.00  0.00    +0.140 C 
ATOM      2  N   LIG    1        0.797  -2.885  -0.030  0.00  0.00    -0.249 N 
ATOM      3  C   LIG    1       -0.142  -1.885  -0.037  0.00  0.00    +0.168 C 
ATOM      4  N   LIG    1       -1.409  -2.138  -0.084  0.00  0.00    -0.226 NA
ATOM      5  S   LIG    1        0.642  -0.322   0.029  0.00  0.00    -0.049 S 
ATOM      6  C   LIG    1        2.213  -1.016   0.066  0.00  0.00    +0.078 C 
ATOM      7  C   LIG    1        3.397  -0.389   0.102  0.00  0.00    +0.028 C 
ATOM      8  C   LIG    1        2.118  -2.502   0.021  0.00  0.00    +0.259 C 
ATOM      9  O   LIG    1        3.091  -3.243   0.029  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   4  10
ATOM     10  C   LIG    1       -2.335  -1.088  -0.088  0.00  0.00    +0.067 A 
ATOM     11  C   LIG    1       -2.769  -0.532  -1.293  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1       -3.712   0.500  -1.299  0.00  0.00    +0.014 A 
ATOM     13  C   LIG    1       -4.252   0.978  -0.096  0.00  0.00    +0.055 A 
ATOM     14  C   LIG    1       -3.822   0.407   1.112  0.00  0.00    +0.014 A 
ATOM     15  C   LIG    1       -2.879  -0.625   1.112  0.00  0.00    +0.028 A 
BRANCH  13  16
ATOM     16  C   LIG    1       -5.254   2.107  -0.096  0.00  0.00    +0.417 C 
ATOM     17  F   LIG    1       -4.660   3.326   0.014  0.00  0.00    -0.166 F 
ATOM     18  F   LIG    1       -6.145   2.030   0.932  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1       -6.004   2.157  -1.232  0.00  0.00    -0.166 F 
ENDBRANCH  13  16
ENDBRANCH   4  10
BRANCH   7  20
ATOM     20  C   LIG    1        3.615   1.061   0.131  0.00  0.00    -0.021 A 
ATOM     21  C   LIG    1        4.332   1.665  -0.902  0.00  0.00    +0.027 A 
ATOM     22  C   LIG    1        4.544   3.033  -0.844  0.00  0.00    +0.111 A 
ATOM     23  N   LIG    1        4.103   3.820   0.160  0.00  0.00    -0.263 NA
ATOM     24  C   LIG    1        3.420   3.211   1.152  0.00  0.00    +0.111 A 
ATOM     25  C   LIG    1        3.158   1.851   1.186  0.00  0.00    +0.027 A 
ENDBRANCH   7  20
TORSDOF 3