REMARK  Name = BDB031670
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.481   1.301  -1.796  0.00  0.00    -0.216 N 
ATOM      2  H   LIG    1        0.510   1.666  -2.749  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -0.662   0.538  -1.431  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -0.474  -0.697  -0.804  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1       -1.618  -1.413  -0.428  0.00  0.00    +0.050 A 
ATOM      6  C   LIG    1       -2.913  -0.936  -0.649  0.00  0.00    +0.017 A 
ATOM      7  C   LIG    1       -3.808  -1.918  -0.138  0.00  0.00    +0.077 A 
ATOM      8  C   LIG    1       -3.054  -2.954   0.371  0.00  0.00    +0.102 A 
ATOM      9  C   LIG    1       -3.071   0.318  -1.277  0.00  0.00    +0.013 A 
ATOM     10  N   LIG    1       -1.733  -2.639   0.189  0.00  0.00    -0.359 N 
ATOM     11  H   LIG    1       -0.951  -3.220   0.465  0.00  0.00    +0.165 HD
ATOM     12  C   LIG    1       -1.938   1.045  -1.662  0.00  0.00    +0.025 A 
BRANCH   7  13
ATOM     13  C   LIG    1       -5.237  -1.867  -0.141  0.00  0.00    +0.101 C 
ATOM     14  N   LIG    1       -6.397  -1.827  -0.144  0.00  0.00    -0.191 NA
ENDBRANCH   7  13
ENDBRANCH   1   3
BRANCH   1  15
ATOM     15  S   LIG    1        1.036   2.464  -0.701  0.00  0.00    +0.072 S 
ATOM     16  O   LIG    1        2.015   3.256  -1.417  0.00  0.00    -0.150 OA
ATOM     17  O   LIG    1       -0.088   3.088  -0.040  0.00  0.00    -0.150 OA
BRANCH  15  20
ATOM     18  C   LIG    1        3.917   0.264   1.099  0.00  0.00    +0.054 A 
ATOM     19  C   LIG    1        3.208   1.023   0.163  0.00  0.00    +0.047 A 
ATOM     20  C   LIG    1        1.926   1.483   0.482  0.00  0.00    +0.110 A 
ATOM     21  C   LIG    1        1.355   1.212   1.729  0.00  0.00    +0.029 A 
ATOM     22  C   LIG    1        2.066   0.455   2.659  0.00  0.00    +0.003 A 
ATOM     23  C   LIG    1        3.343  -0.019   2.345  0.00  0.00    +0.019 A 
BRANCH  18  25
ATOM     24  N   LIG    1        6.282  -0.637   0.529  0.00  0.00    -0.191 NA
ATOM     25  C   LIG    1        5.227  -0.227   0.785  0.00  0.00    +0.099 C 
ENDBRANCH  18  25
ENDBRANCH  15  20
ENDBRANCH   1  15
TORSDOF 5