REMARK  Name = BDB048873
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.773   0.202  -0.403  0.00  0.00    +0.032 A 
ATOM      2  C   LIG    1        0.255  -0.394   0.338  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1        1.608  -0.108   0.085  0.00  0.00    +0.106 A 
ATOM      4  S   LIG    1        2.809  -0.911   1.066  0.00  0.00    +0.026 S 
ATOM      5  C   LIG    1        4.396  -0.366   0.577  0.00  0.00    +0.104 A 
ATOM      6  C   LIG    1        4.539   0.546  -0.460  0.00  0.00    +0.047 A 
ATOM      7  C   LIG    1        3.397   1.117  -1.212  0.00  0.00    +0.197 C 
ATOM      8  O   LIG    1        3.628   1.907  -2.124  0.00  0.00    -0.287 OA
ATOM      9  C   LIG    1        5.837   0.950  -0.815  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        6.954   0.447  -0.141  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        6.789  -0.467   0.897  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1        5.508  -0.877   1.260  0.00  0.00    +0.028 A 
ATOM     13  O   LIG    1        2.740  -2.320   0.733  0.00  0.00    -0.164 OA
ATOM     14  O   LIG    1        2.615  -0.439   2.423  0.00  0.00    -0.164 OA
ATOM     15  C   LIG    1        1.989   0.777  -0.906  0.00  0.00    +0.048 A 
ATOM     16  C   LIG    1        0.978   1.381  -1.659  0.00  0.00    +0.015 A 
ATOM     17  C   LIG    1       -0.373   1.095  -1.409  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   1  22
ATOM     18  C   LIG    1       -6.214   0.194   0.329  0.00  0.00    +0.007 C 
ATOM     19  C   LIG    1       -4.962  -0.682   0.384  0.00  0.00    -0.011 C 
ATOM     20  C   LIG    1       -4.303  -0.812  -0.997  0.00  0.00    +0.022 C 
ATOM     21  C   LIG    1       -3.132   0.153  -1.183  0.00  0.00    +0.105 C 
ATOM     22  N   LIG    1       -2.108  -0.078  -0.157  0.00  0.00    -0.330 N 
ATOM     23  C   LIG    1       -2.545  -0.579   1.152  0.00  0.00    +0.105 C 
ATOM     24  C   LIG    1       -3.982  -0.144   1.436  0.00  0.00    +0.022 C 
ENDBRANCH   1  22
TORSDOF 1