REMARK  Name = BDB060857
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1        0.505  -4.337  -1.599  0.00  0.00    -0.009 S 
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1        3.002  -1.925   0.028  0.00  0.00    +0.163 A 
ATOM      3  N   LIG    1        2.004  -2.238  -0.859  0.00  0.00    -0.316 N 
ATOM      4  H   LIG    1        1.467  -1.601  -1.432  0.00  0.00    +0.169 HD
ATOM      5  C   LIG    1        1.763  -3.567  -0.713  0.00  0.00    +0.200 A 
ATOM      6  N   LIG    1        2.590  -4.080   0.162  0.00  0.00    -0.122 NA
ATOM      7  N   LIG    1        3.372  -3.041   0.632  0.00  0.00    -0.128 NA
BRANCH   2  10
ATOM      8 BR   LIG    1        6.240  -1.559   0.265  0.00  0.00    -0.050 Br
ATOM      9  C   LIG    1        4.858  -0.258   0.398  0.00  0.00    +0.029 A 
ATOM     10  C   LIG    1        3.496  -0.566   0.246  0.00  0.00    +0.033 A 
ATOM     11  C   LIG    1        2.564   0.489   0.315  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1        2.978   1.806   0.531  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        4.330   2.094   0.683  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        5.268   1.065   0.616  0.00  0.00    +0.016 A 
ENDBRANCH   2  10
ENDBRANCH   1   5
BRANCH   1  15
ATOM     15  S   LIG    1       -1.076  -3.927  -0.342  0.00  0.00    -0.009 S 
BRANCH  15  16
ATOM     16  C   LIG    1       -1.362  -2.264  -0.699  0.00  0.00    +0.200 A 
ATOM     17  N   LIG    1       -2.420  -1.613  -0.152  0.00  0.00    -0.316 N 
ATOM     18  H   LIG    1       -3.123  -2.009   0.453  0.00  0.00    +0.169 HD
ATOM     19  C   LIG    1       -2.313  -0.298  -0.535  0.00  0.00    +0.163 A 
ATOM     20  N   LIG    1       -1.241  -0.192  -1.307  0.00  0.00    -0.128 NA
ATOM     21  N   LIG    1       -0.646  -1.426  -1.410  0.00  0.00    -0.122 NA
BRANCH  19  22
ATOM     22  C   LIG    1       -3.248   0.780  -0.193  0.00  0.00    +0.033 A 
ATOM     23  C   LIG    1       -4.084   0.810   0.939  0.00  0.00    +0.029 A 
ATOM     24 BR   LIG    1       -4.105  -0.546   2.277  0.00  0.00    -0.050 Br
ATOM     25  C   LIG    1       -4.950   1.892   1.159  0.00  0.00    +0.016 A 
ATOM     26  C   LIG    1       -4.993   2.959   0.264  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -4.167   2.954  -0.853  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -3.304   1.878  -1.075  0.00  0.00    +0.013 A 
ENDBRANCH  19  22
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 5