REMARK  Name = BDB000044
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.431  -1.141  -0.096  0.00  0.00    -0.279 N 
ATOM      2  H   LIG    1        0.388  -1.906  -0.755  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   1   6
ATOM      3 BR   LIG    1        5.861   0.123  -0.501  0.00  0.00    -0.041 Br
ATOM      4  C   LIG    1        3.998  -0.037  -0.146  0.00  0.00    +0.076 A 
ATOM      5  S   LIG    1        2.998  -1.233  -0.809  0.00  0.00    -0.045 S 
ATOM      6  C   LIG    1        1.643  -0.550   0.033  0.00  0.00    +0.164 A 
ATOM      7  N   LIG    1        1.947   0.479   0.797  0.00  0.00    -0.232 NA
ATOM      8  C   LIG    1        3.288   0.790   0.683  0.00  0.00    +0.136 A 
ENDBRANCH   1   6
BRANCH   1   9
ATOM      9  C   LIG    1       -0.789  -0.433  -0.088  0.00  0.00    +0.124 A 
ATOM     10  N   LIG    1       -0.827   0.905  -0.253  0.00  0.00    -0.240 NA
ATOM     11  C   LIG    1       -2.030   1.521  -0.232  0.00  0.00    +0.113 A 
ATOM     12  C   LIG    1       -3.232   0.859  -0.066  0.00  0.00    +0.020 A 
ATOM     13  C   LIG    1       -3.196  -0.517   0.095  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1       -1.964  -1.170   0.084  0.00  0.00    +0.044 A 
ENDBRANCH   1   9
TORSDOF 2