REMARK  Name = BDB053344
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.367   1.961  -0.625  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1       -0.691   0.835  -0.275  0.00  0.00    +0.272 A 
ATOM      3  N   LIG    1        0.106  -0.269   0.068  0.00  0.00    -0.244 N 
ATOM      4  S   LIG    1       -0.834  -1.665   0.502  0.00  0.00    +0.017 S 
ATOM      5  C   LIG    1       -2.346  -0.790   0.232  0.00  0.00    +0.130 A 
ATOM      6  N   LIG    1       -3.566  -1.333   0.402  0.00  0.00    -0.246 NA
ATOM      7  C   LIG    1       -4.609  -0.507   0.147  0.00  0.00    +0.112 A 
ATOM      8  C   LIG    1       -4.474   0.819  -0.266  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1       -3.193   1.344  -0.430  0.00  0.00    +0.017 A 
ATOM     10  C   LIG    1       -2.119   0.507  -0.171  0.00  0.00    +0.074 A 
ENDROOT
BRANCH   3  11
ATOM     11  C   LIG    1        1.539  -0.301   0.076  0.00  0.00    +0.057 A 
ATOM     12  C   LIG    1        2.303   0.825  -0.275  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1        3.705   0.797  -0.267  0.00  0.00    +0.017 A 
ATOM     14  C   LIG    1        4.373  -0.365   0.093  0.00  0.00    +0.018 A 
ATOM     15 BR   LIG    1        6.261  -0.407   0.104  0.00  0.00    -0.050 Br
ATOM     16  C   LIG    1        3.651  -1.498   0.446  0.00  0.00    +0.017 A 
ATOM     17  C   LIG    1        2.250  -1.462   0.436  0.00  0.00    +0.028 A 
ENDBRANCH   3  11
TORSDOF 1