REMARK  Name = BDB056329
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.082   2.677   1.696  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        1.741   1.620   1.178  0.00  0.00    +0.255 A 
ATOM      3  C   LIG    1        2.708   0.614   0.704  0.00  0.00    +0.040 A 
ATOM      4  C   LIG    1        4.174   0.860   0.857  0.00  0.00    +0.053 C 
ATOM      5  C   LIG    1        4.894   0.670  -0.471  0.00  0.00    +0.074 C 
ATOM      6  S   LIG    1        4.652  -0.964  -1.246  0.00  0.00    -0.154 S 
ATOM      7  C   LIG    1        3.150  -1.562  -0.404  0.00  0.00    +0.125 C 
ATOM      8  C   LIG    1        2.221  -0.480   0.095  0.00  0.00    +0.062 A 
ATOM      9  N   LIG    1        0.878  -0.725  -0.085  0.00  0.00    -0.233 NA
ATOM     10  C   LIG    1        0.032   0.147   0.365  0.00  0.00    +0.141 A 
ATOM     11  N   LIG    1        0.429   1.299   0.995  0.00  0.00    -0.307 N 
ATOM     12  H   LIG    1       -0.227   2.010   1.278  0.00  0.00    +0.170 HD
ENDROOT
BRANCH  10  13
ATOM     13  C   LIG    1       -1.432  -0.061   0.198  0.00  0.00    +0.017 A 
ATOM     14  C   LIG    1       -1.882  -0.818  -0.891  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1       -3.249  -1.036  -1.083  0.00  0.00    +0.013 A 
ATOM     16  C   LIG    1       -4.188  -0.515  -0.180  0.00  0.00    +0.055 A 
ATOM     17  C   LIG    1       -3.730   0.238   0.913  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1       -2.362   0.459   1.107  0.00  0.00    +0.012 A 
BRANCH  16  19
ATOM     19  C   LIG    1       -5.667  -0.732  -0.396  0.00  0.00    +0.417 C 
ATOM     20  F   LIG    1       -6.234   0.272  -1.118  0.00  0.00    -0.166 F 
ATOM     21  F   LIG    1       -5.948  -1.883  -1.067  0.00  0.00    -0.166 F 
ATOM     22  F   LIG    1       -6.370  -0.799   0.769  0.00  0.00    -0.166 F 
ENDBRANCH  16  19
ENDBRANCH  10  13
TORSDOF 2