REMARK  Name = BDB063489
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.613  -0.833  -0.247  0.00  0.00    +0.204 A 
ATOM      2  N   LIG    1        0.406   0.072  -0.045  0.00  0.00    -0.187 NA
ATOM      3  C   LIG    1        1.488  -0.664  -0.182  0.00  0.00    +0.259 A 
ATOM      4  O   LIG    1        1.198  -1.972  -0.457  0.00  0.00    -0.332 OA
ATOM      5  N   LIG    1       -0.189  -2.080  -0.499  0.00  0.00    -0.056 NA
ENDROOT
BRANCH   1   8
ATOM      6  C   LIG    1       -3.744   1.211   0.132  0.00  0.00    +0.020 A 
ATOM      7  C   LIG    1       -2.392   0.873   0.081  0.00  0.00    +0.014 A 
ATOM      8  C   LIG    1       -2.013  -0.447  -0.187  0.00  0.00    +0.041 A 
ATOM      9  C   LIG    1       -3.034  -1.370  -0.392  0.00  0.00    +0.122 A 
ATOM     10  N   LIG    1       -4.357  -1.070  -0.348  0.00  0.00    -0.263 NA
ATOM     11  C   LIG    1       -4.680   0.215  -0.088  0.00  0.00    +0.111 A 
ENDBRANCH   1   8
BRANCH   3  12
ATOM     12  C   LIG    1        2.939  -0.104  -0.046  0.00  0.00    +0.046 A 
ATOM     13  C   LIG    1        4.058  -0.893  -0.193  0.00  0.00    +0.058 A 
ATOM     14  S   LIG    1        5.502   0.007   0.013  0.00  0.00    -0.104 S 
ATOM     15  C   LIG    1        4.628   1.452   0.299  0.00  0.00    +0.046 A 
ATOM     16  C   LIG    1        3.265   1.253   0.239  0.00  0.00    +0.021 A 
ENDBRANCH   3  12
TORSDOF 2