REMARK  Name = BDB053341
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.069   0.266  -2.081  0.00  0.00    +0.168 C 
ENDROOT
BRANCH   1   4
ATOM      2  O   LIG    1        1.746  -1.851  -1.165  0.00  0.00    -0.266 OA
ATOM      3  C   LIG    1        1.903  -0.674  -0.878  0.00  0.00    +0.267 A 
ATOM      4  N   LIG    1        1.139   0.403  -1.294  0.00  0.00    -0.272 N 
ATOM      5  S   LIG    1        1.621   1.922  -0.656  0.00  0.00    +0.012 S 
ATOM      6  C   LIG    1        2.963   1.145   0.216  0.00  0.00    +0.130 A 
ATOM      7  N   LIG    1        3.844   1.812   0.984  0.00  0.00    -0.246 NA
ATOM      8  C   LIG    1        4.795   1.043   1.568  0.00  0.00    +0.112 A 
ATOM      9  C   LIG    1        4.893  -0.342   1.411  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        3.963  -0.996   0.606  0.00  0.00    +0.017 A 
ATOM     11  C   LIG    1        2.987  -0.221   0.004  0.00  0.00    +0.073 A 
ENDBRANCH   1   4
BRANCH   1  12
ATOM     12  C   LIG    1       -1.304   0.115  -1.223  0.00  0.00    -0.027 A 
ATOM     13  C   LIG    1       -1.648  -1.134  -0.688  0.00  0.00    +0.006 A 
ATOM     14  C   LIG    1       -2.777  -1.274   0.121  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1       -3.588  -0.167   0.412  0.00  0.00    +0.055 A 
ATOM     16  C   LIG    1       -3.234   1.086  -0.110  0.00  0.00    +0.013 A 
ATOM     17  C   LIG    1       -2.104   1.226  -0.920  0.00  0.00    +0.006 A 
BRANCH  15  18
ATOM     18  C   LIG    1       -4.793  -0.313   1.306  0.00  0.00    +0.417 C 
ATOM     19  F   LIG    1       -4.489  -0.133   2.621  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1       -5.378  -1.541   1.222  0.00  0.00    -0.166 F 
ATOM     21  F   LIG    1       -5.780   0.585   1.026  0.00  0.00    -0.166 F 
ENDBRANCH  15  18
ENDBRANCH   1  12
TORSDOF 3