REMARK  Name = BDB047376
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.267  -0.054   0.047  0.00  0.00    +0.074 A 
ATOM      2  C   LIG    1        1.650   0.339  -0.308  0.00  0.00    +0.297 A 
ATOM      3  O   LIG    1        2.015   0.927  -1.310  0.00  0.00    -0.264 OA
ATOM      4  N   LIG    1        2.463  -0.080   0.756  0.00  0.00    -0.094 N 
ATOM      5  N   LIG    1        1.679  -0.720   1.709  0.00  0.00    -0.135 N 
ATOM      6  C   LIG    1        0.312  -0.673   1.240  0.00  0.00    +0.073 A 
ATOM      7  C   LIG    1       -0.813  -1.178   2.080  0.00  0.00    +0.068 C 
ENDROOT
BRANCH   1  16
ATOM      8  C   LIG    1       -1.982  -0.932  -4.681  0.00  0.00    +0.113 C 
ATOM      9  C   LIG    1       -2.795  -0.017  -3.813  0.00  0.00    +0.229 C 
ATOM     10  N   LIG    1       -2.247   0.263  -2.539  0.00  0.00    -0.287 N 
ATOM     11  C   LIG    1       -2.804   1.099  -1.560  0.00  0.00    +0.057 A 
ATOM     12  C   LIG    1       -1.939   1.117  -0.457  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1       -2.265   1.922   0.658  0.00  0.00    +0.010 A 
ATOM     14  C   LIG    1       -3.445   2.671   0.656  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -4.299   2.631  -0.437  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1       -0.854   0.257  -0.762  0.00  0.00    +0.015 A 
ATOM     17  C   LIG    1       -3.994   1.853  -1.557  0.00  0.00    +0.027 A 
ATOM     18  C   LIG    1       -1.057  -0.240  -2.028  0.00  0.00    +0.103 A 
ATOM     19  O   LIG    1       -3.866   0.469  -4.156  0.00  0.00    -0.273 OA
ENDBRANCH   1  16
BRANCH   4  20
ATOM     20  S   LIG    1        3.708   0.874   1.373  0.00  0.00    +0.070 S 
ATOM     21  O   LIG    1        3.296   2.262   1.305  0.00  0.00    -0.152 OA
ATOM     22  O   LIG    1        4.143   0.320   2.642  0.00  0.00    -0.152 OA
ATOM     23  C   LIG    1        4.993   0.599   0.173  0.00  0.00    +0.223 C 
ENDBRANCH   4  20
BRANCH   5  24
ATOM     24  S   LIG    1        2.297  -2.328   2.017  0.00  0.00    +0.067 S 
ATOM     25  O   LIG    1        1.338  -3.308   1.545  0.00  0.00    -0.152 OA
ATOM     26  O   LIG    1        3.673  -2.400   1.563  0.00  0.00    -0.152 OA
ATOM     27  C   LIG    1        2.279  -2.327   3.796  0.00  0.00    +0.223 C 
ENDBRANCH   5  24
TORSDOF 3