REMARK  Name = BDB049700
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.840  -1.144  -0.151  0.00  0.00    +0.050 C 
ATOM      2  C   LIG    1        2.687  -0.232  -0.354  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1        1.313  -0.641   0.058  0.00  0.00    +0.265 A 
ATOM      4  O   LIG    1        1.129  -1.738   0.568  0.00  0.00    -0.266 OA
ATOM      5  N   LIG    1        0.398   0.378  -0.233  0.00  0.00    -0.246 N 
ATOM      6  S   LIG    1        1.152   1.745  -0.957  0.00  0.00    -0.011 S 
ATOM      7  C   LIG    1        2.695   0.991  -0.889  0.00  0.00    +0.072 A 
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1       -1.012   0.341   0.023  0.00  0.00    +0.057 A 
ATOM      9  C   LIG    1       -1.627  -0.775   0.614  0.00  0.00    +0.027 A 
ATOM     10  C   LIG    1       -3.006  -0.811   0.863  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1       -3.807   0.272   0.526  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -3.229   1.391  -0.060  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1       -1.851   1.423  -0.308  0.00  0.00    +0.027 A 
ENDBRANCH   5   8
TORSDOF 1