REMARK  Name = BDB060837
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.142  -0.726  -0.165  0.00  0.00    +0.206 A 
ATOM      2  N   LIG    1        2.138   0.187  -0.010  0.00  0.00    -0.202 NA
ATOM      3  C   LIG    1        1.035  -0.536  -0.097  0.00  0.00    +0.157 A 
ATOM      4  N   LIG    1        1.406  -1.840  -0.298  0.00  0.00    -0.258 N 
ATOM      5  H   LIG    1        0.822  -2.659  -0.410  0.00  0.00    +0.191 HD
ATOM      6  N   LIG    1        2.739  -1.983  -0.344  0.00  0.00    -0.146 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -0.342  -0.048   0.001  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1       -0.564   1.323   0.209  0.00  0.00    +0.026 A 
ATOM      9  C   LIG    1       -1.862   1.826   0.308  0.00  0.00    +0.019 A 
ATOM     10 BR   LIG    1       -2.134   3.675   0.589  0.00  0.00    -0.050 Br
ATOM     11  C   LIG    1       -2.959   0.976   0.202  0.00  0.00    +0.015 A 
ATOM     12  C   LIG    1       -2.755  -0.387  -0.005  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1       -1.456  -0.896  -0.105  0.00  0.00    +0.011 A 
ENDBRANCH   3   7
BRANCH   1  14
ATOM     14  S   LIG    1        4.818  -0.282  -0.130  0.00  0.00    -0.102 S 
ATOM     15  H   LIG    1        4.611   1.026   0.069  0.00  0.00    +0.110 HD
ENDBRANCH   1  14
TORSDOF 2