REMARK  Name = BDB061917
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.895   0.681   0.794  0.00  0.00    +0.115 C 
ATOM      2  C   LIG    1       -1.675  -0.591   0.518  0.00  0.00    -0.016 A 
ATOM      3  C   LIG    1       -2.899  -0.571  -0.129  0.00  0.00    -0.004 A 
ATOM      4  S   LIG    1       -3.600  -2.107  -0.303  0.00  0.00    -0.101 S 
ATOM      5  C   LIG    1       -2.302  -2.846   0.529  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -3.547   0.675  -0.640  0.00  0.00    +0.058 C 
ATOM      7  C   LIG    1       -2.857   1.898  -0.003  0.00  0.00    +0.087 C 
ATOM      8  C   LIG    1       -1.352  -1.929   0.926  0.00  0.00    +0.013 A 
ATOM      9  N   LIG    1       -1.387   1.803  -0.035  0.00  0.00    -0.305 NA
ATOM     10  H   LIG    1       -1.093   1.631  -0.995  0.00  0.00    +0.123 HD
ENDROOT
BRANCH   1  15
ATOM     11  C   LIG    1        4.783  -0.305  -0.215  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1        3.322  -0.084   0.043  0.00  0.00    -0.050 A 
ATOM     13  C   LIG    1        2.887   0.416   1.275  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1        1.529   0.652   1.506  0.00  0.00    +0.006 A 
ATOM     15  C   LIG    1        0.572   0.398   0.510  0.00  0.00    -0.026 A 
ATOM     16  C   LIG    1        1.023  -0.080  -0.734  0.00  0.00    +0.006 A 
ATOM     17  C   LIG    1        2.381  -0.317  -0.964  0.00  0.00    +0.004 A 
ENDBRANCH   1  15
TORSDOF 1