REMARK  Name = BDB000828
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.133  -0.047   0.285  0.00  0.00    +0.041 A 
ATOM      2  C   LIG    1       -1.188   0.310  -0.145  0.00  0.00    +0.003 A 
ATOM      3  C   LIG    1       -2.304  -0.377   0.404  0.00  0.00    -0.016 A 
ATOM      4  C   LIG    1       -3.611  -0.037   0.017  0.00  0.00    +0.008 A 
ATOM      5  C   LIG    1       -3.845   0.967  -0.919  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -2.773   1.638  -1.487  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -2.106  -1.408   1.330  0.00  0.00    +0.008 A 
ATOM      8  C   LIG    1       -0.824  -1.779   1.714  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1       -1.467   1.313  -1.109  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1        0.280  -1.111   1.191  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   1  11
ATOM     11  N   LIG    1        1.257   0.629  -0.251  0.00  0.00    -0.293 N 
ATOM     12  H   LIG    1        1.057   1.579  -0.532  0.00  0.00    +0.154 HD
BRANCH  11  16
ATOM     13 BR   LIG    1        6.827   0.702  -0.688  0.00  0.00    -0.041 Br
ATOM     14  C   LIG    1        4.976   0.347  -0.424  0.00  0.00    +0.076 A 
ATOM     15  S   LIG    1        3.739   1.466  -0.716  0.00  0.00    -0.045 S 
ATOM     16  C   LIG    1        2.566   0.286  -0.214  0.00  0.00    +0.163 A 
ATOM     17  N   LIG    1        3.088  -0.872   0.137  0.00  0.00    -0.232 NA
ATOM     18  C   LIG    1        4.465  -0.842   0.022  0.00  0.00    +0.136 A 
ENDBRANCH  11  16
ENDBRANCH   1  11
TORSDOF 2