REMARK  Name = BDB003126
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.437  -0.163   0.411  0.00  0.00    +0.152 A 
ATOM      2  C   LIG    1        1.639  -0.306  -0.723  0.00  0.00    +0.136 A 
ATOM      3  C   LIG    1        2.081   0.230  -1.940  0.00  0.00    +0.031 A 
ATOM      4  C   LIG    1        3.307   0.897  -2.008  0.00  0.00    +0.002 A 
ATOM      5  C   LIG    1        4.098   1.039  -0.865  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        3.666   0.512   0.351  0.00  0.00    +0.035 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1        1.686   0.172   2.544  0.00  0.00    -0.126 OA
ATOM      8  N   LIG    1        2.032  -0.670   1.704  0.00  0.00    +0.058 N 
ATOM      9  O   LIG    1        2.134  -1.885   1.894  0.00  0.00    -0.126 OA
ENDBRANCH   1   8
BRANCH   2  10
ATOM     10  S   LIG    1        0.070  -1.122  -0.671  0.00  0.00    +0.063 S 
ATOM     11  O   LIG    1        0.340  -2.512  -0.392  0.00  0.00    -0.153 OA
ATOM     12  O   LIG    1       -0.662  -0.733  -1.858  0.00  0.00    -0.153 OA
BRANCH  10  13
ATOM     13  N   LIG    1       -0.701  -0.409   0.655  0.00  0.00    -0.177 NA
ATOM     14  C   LIG    1       -1.712  -1.233   1.363  0.00  0.00    +0.109 C 
ATOM     15  C   LIG    1       -3.078  -1.102   0.704  0.00  0.00    +0.017 C 
ATOM     16  C   LIG    1       -3.515   0.359   0.646  0.00  0.00    +0.003 C 
ATOM     17  C   LIG    1       -2.459   1.216  -0.044  0.00  0.00    +0.017 C 
ATOM     18  C   LIG    1       -1.077   1.025   0.575  0.00  0.00    +0.109 C 
ENDBRANCH  10  13
ENDBRANCH   2  10
TORSDOF 3