REMARK  Name = BDB064404
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.694  -0.186   0.395  0.00  0.00    -0.283 NA
ATOM      2  C   LIG    1        0.266   0.868   0.819  0.00  0.00    +0.121 C 
ATOM      3  C   LIG    1        1.618   0.274   0.573  0.00  0.00    -0.027 A 
ATOM      4  C   LIG    1        1.485  -0.863  -0.223  0.00  0.00    -0.029 A 
ATOM      5  C   LIG    1        2.588  -1.600  -0.626  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        3.851  -1.179  -0.205  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1        3.976  -0.024   0.590  0.00  0.00    +0.122 A 
ATOM      8  C   LIG    1        2.860   0.716   0.993  0.00  0.00    +0.035 A 
ATOM      9  C   LIG    1        0.039  -1.067  -0.547  0.00  0.00    +0.121 C 
ENDROOT
BRANCH   1  16
ATOM     10  O   LIG    1       -6.098   0.738   0.150  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1       -4.891   0.513   0.121  0.00  0.00    +0.219 C 
ATOM     12  N   LIG    1       -4.042   1.070   1.039  0.00  0.00    -0.255 N 
ATOM     13  H   LIG    1       -4.481   1.702   1.694  0.00  0.00    +0.158 HD
ATOM     14  C   LIG    1       -2.687   1.242   0.891  0.00  0.00    +0.236 C 
ATOM     15  O   LIG    1       -2.133   2.150   1.512  0.00  0.00    -0.274 OA
ATOM     16  C   LIG    1       -1.968   0.338  -0.144  0.00  0.00    +0.144 C 
ATOM     17  C   LIG    1       -2.897  -0.826  -0.530  0.00  0.00    +0.037 C 
ATOM     18  C   LIG    1       -4.249  -0.297  -0.974  0.00  0.00    +0.098 C 
ENDBRANCH   1  16
BRANCH   7  19
ATOM     19  S   LIG    1        5.585   0.471   1.131  0.00  0.00    +0.147 S 
ATOM     20  F   LIG    1        6.464  -0.854   1.211  0.00  0.00    -0.056 F 
ATOM     21  O   LIG    1        5.478   0.941   2.497  0.00  0.00    -0.138 OA
ATOM     22  O   LIG    1        6.172   1.271   0.076  0.00  0.00    -0.138 OA
ENDBRANCH   7  19
TORSDOF 2