REMARK  Name = BDB060651
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.206   0.095  -1.709  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1       -0.672  -0.847  -1.205  0.00  0.00    -0.290 N 
ATOM      3  C   LIG    1       -0.844  -1.294   0.181  0.00  0.00    +0.107 C 
ATOM      4  C   LIG    1       -1.940  -2.369   0.102  0.00  0.00    +0.029 C 
ATOM      5  C   LIG    1       -1.845  -2.871  -1.333  0.00  0.00    +0.021 C 
ATOM      6  C   LIG    1       -1.516  -1.607  -2.108  0.00  0.00    +0.109 C 
ATOM      7  O   LIG    1        0.228   0.438  -2.888  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1        2.974   1.986   0.929  0.00  0.00    +0.052 A 
ATOM      9  C   LIG    1        1.953   2.730   0.323  0.00  0.00    +0.019 A 
ATOM     10  C   LIG    1        1.055   2.107  -0.546  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1        1.167   0.735  -0.790  0.00  0.00    +0.037 A 
ATOM     12  C   LIG    1        2.200  -0.010  -0.211  0.00  0.00    +0.014 A 
ATOM     13  C   LIG    1        3.099   0.618   0.655  0.00  0.00    +0.019 A 
BRANCH   8  15
ATOM     14  N   LIG    1        4.634   3.133   2.559  0.00  0.00    -0.191 NA
ATOM     15  C   LIG    1        3.892   2.625   1.826  0.00  0.00    +0.099 C 
ENDBRANCH   8  15
ENDBRANCH   1  11
BRANCH   3  16
ATOM     16  C   LIG    1       -1.226  -0.161   1.094  0.00  0.00    -0.020 A 
ATOM     17  C   LIG    1       -2.169   0.818   0.822  0.00  0.00    +0.050 A 
ATOM     18  S   LIG    1       -2.331   1.961   2.081  0.00  0.00    -0.105 S 
ATOM     19  C   LIG    1       -1.155   1.164   3.028  0.00  0.00    +0.045 A 
ATOM     20  C   LIG    1       -0.649   0.052   2.393  0.00  0.00    +0.013 A 
ENDBRANCH   3  16
TORSDOF 3