REMARK  Name = BDB031680
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.335  -0.407   1.665  0.00  0.00    -0.216 N 
ATOM      2  H   LIG    1       -0.761  -0.588   2.573  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -1.149  -0.465   0.504  0.00  0.00    +0.053 A 
ATOM      4  C   LIG    1       -2.284   0.311   0.367  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -2.901   1.313   1.282  0.00  0.00    +0.142 C 
ATOM      6  N   LIG    1       -4.085   1.716   0.561  0.00  0.00    -0.307 N 
ATOM      7  H   LIG    1       -4.729   2.441   0.846  0.00  0.00    +0.149 HD
ATOM      8  C   LIG    1       -4.183   1.128  -0.680  0.00  0.00    +0.245 C 
ATOM      9  O   LIG    1       -5.042   1.316  -1.517  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1       -3.040   0.218  -0.804  0.00  0.00    +0.043 A 
ATOM     11  C   LIG    1       -2.707  -0.612  -1.858  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1       -1.557  -1.389  -1.720  0.00  0.00    +0.003 A 
ATOM     13  C   LIG    1       -0.784  -1.316  -0.546  0.00  0.00    +0.025 A 
ENDBRANCH   1   3
BRANCH   1  14
ATOM     14  S   LIG    1        0.878   0.761   1.749  0.00  0.00    +0.072 S 
ATOM     15  O   LIG    1        0.419   1.973   1.108  0.00  0.00    -0.150 OA
ATOM     16  O   LIG    1        1.329   0.768   3.124  0.00  0.00    -0.150 OA
BRANCH  14  19
ATOM     17  C   LIG    1        3.391  -0.069  -1.316  0.00  0.00    +0.054 A 
ATOM     18  C   LIG    1        2.361   0.485  -0.551  0.00  0.00    +0.047 A 
ATOM     19  C   LIG    1        2.172   0.050   0.765  0.00  0.00    +0.110 A 
ATOM     20  C   LIG    1        3.016  -0.912   1.330  0.00  0.00    +0.029 A 
ATOM     21  C   LIG    1        4.043  -1.460   0.564  0.00  0.00    +0.003 A 
ATOM     22  C   LIG    1        4.229  -1.042  -0.757  0.00  0.00    +0.019 A 
BRANCH  17  24
ATOM     23  N   LIG    1        3.749   0.686  -3.772  0.00  0.00    -0.191 NA
ATOM     24  C   LIG    1        3.590   0.354  -2.672  0.00  0.00    +0.099 C 
ENDBRANCH  17  24
ENDBRANCH  14  19
ENDBRANCH   1  14
TORSDOF 4