REMARK  Name = BDB031656
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.011  -1.050  -1.107  0.00  0.00    -0.199 N 
ATOM      2  H   LIG    1       -0.278  -1.664  -1.870  0.00  0.00    +0.175 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -0.973  -0.820  -0.105  0.00  0.00    +0.150 A 
ATOM      4  C   LIG    1       -2.343  -0.805  -0.357  0.00  0.00    +0.060 A 
ATOM      5  C   LIG    1       -3.147  -0.527   0.737  0.00  0.00    +0.143 A 
ATOM      6  N   LIG    1       -4.451  -0.551   0.324  0.00  0.00    -0.346 N 
ATOM      7  H   LIG    1       -5.238  -0.373   0.932  0.00  0.00    +0.167 HD
ATOM      8  C   LIG    1       -4.504  -0.837  -1.018  0.00  0.00    +0.085 A 
ATOM      9  N   LIG    1       -2.741  -0.271   1.989  0.00  0.00    -0.218 NA
ATOM     10  C   LIG    1       -1.399  -0.295   2.089  0.00  0.00    +0.225 A 
ATOM     11  C   LIG    1       -3.209  -0.996  -1.469  0.00  0.00    +0.032 A 
ATOM     12  N   LIG    1       -0.498  -0.547   1.121  0.00  0.00    -0.219 NA
ENDBRANCH   1   3
BRANCH   1  14
ATOM     13  O   LIG    1       -0.127   1.443  -1.663  0.00  0.00    -0.150 OA
ATOM     14  S   LIG    1        0.779   0.313  -1.683  0.00  0.00    +0.073 S 
ATOM     15  O   LIG    1        1.409  -0.097  -2.922  0.00  0.00    -0.150 OA
BRANCH  14  16
ATOM     16  C   LIG    1        2.075   0.577  -0.500  0.00  0.00    +0.109 A 
ATOM     17  C   LIG    1        1.981   1.633   0.412  0.00  0.00    +0.029 A 
ATOM     18  C   LIG    1        3.021   1.852   1.316  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1        4.147   1.028   1.299  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        4.242  -0.017   0.378  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        3.207  -0.243  -0.529  0.00  0.00    +0.029 A 
ENDBRANCH  14  16
ENDBRANCH   1  14
TORSDOF 3