REMARK  Name = BDB064399
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.173  -0.619  -0.058  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1        0.788  -0.668  -1.057  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        0.640  -0.931  -2.234  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        2.070  -0.334  -0.430  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1        1.831  -0.023   0.910  0.00  0.00    -0.018 A 
ATOM      6  C   LIG    1        2.875   0.341   1.744  0.00  0.00    +0.008 A 
ATOM      7  C   LIG    1        4.165   0.382   1.202  0.00  0.00    +0.030 A 
ATOM      8  C   LIG    1        4.379   0.057  -0.154  0.00  0.00    +0.122 A 
ATOM      9  C   LIG    1        3.327  -0.299  -0.999  0.00  0.00    +0.043 A 
ATOM     10  C   LIG    1        0.370  -0.131   1.204  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  15
ATOM     11  C   LIG    1       -4.170   2.158  -0.742  0.00  0.00    +0.141 C 
ATOM     12  N   LIG    1       -3.584   0.850  -0.512  0.00  0.00    -0.244 N 
ATOM     13  C   LIG    1       -2.186   0.781  -0.493  0.00  0.00    +0.242 C 
ATOM     14  O   LIG    1       -1.472   1.782  -0.573  0.00  0.00    -0.273 OA
ATOM     15  C   LIG    1       -1.601  -0.637  -0.364  0.00  0.00    +0.164 C 
ATOM     16  C   LIG    1       -2.400  -1.414   0.668  0.00  0.00    +0.041 C 
ATOM     17  C   LIG    1       -3.833  -1.514   0.186  0.00  0.00    +0.099 C 
ATOM     18  C   LIG    1       -4.442  -0.152  -0.061  0.00  0.00    +0.222 C 
ATOM     19  O   LIG    1       -5.648   0.021   0.118  0.00  0.00    -0.275 OA
ENDBRANCH   1  15
BRANCH   8  20
ATOM     20  S   LIG    1        6.018   0.151  -0.810  0.00  0.00    +0.147 S 
ATOM     21  F   LIG    1        5.879   0.260  -2.391  0.00  0.00    -0.056 F 
ATOM     22  O   LIG    1        6.657  -1.123  -0.553  0.00  0.00    -0.138 OA
ATOM     23  O   LIG    1        6.591   1.411  -0.383  0.00  0.00    -0.138 OA
ENDBRANCH   8  20
TORSDOF 2