REMARK  Name = BDB061922
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.134  -0.609  -0.928  0.00  0.00    +0.118 C 
ATOM      2  C   LIG    1       -1.106   0.525  -0.655  0.00  0.00    -0.016 A 
ATOM      3  C   LIG    1       -2.411   0.286  -0.255  0.00  0.00    -0.004 A 
ATOM      4  S   LIG    1       -3.323   1.700  -0.032  0.00  0.00    -0.101 S 
ATOM      5  C   LIG    1       -2.010   2.680  -0.521  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -2.973  -1.080  -0.023  0.00  0.00    +0.058 C 
ATOM      7  C   LIG    1       -2.024  -2.127  -0.640  0.00  0.00    +0.087 C 
ATOM      8  C   LIG    1       -0.896   1.934  -0.840  0.00  0.00    +0.013 A 
ATOM      9  N   LIG    1       -0.610  -1.870  -0.311  0.00  0.00    -0.305 NA
ATOM     10  H   LIG    1       -0.527  -1.778   0.699  0.00  0.00    +0.123 HD
ENDROOT
BRANCH   1  13
ATOM     11  F   LIG    1        2.157  -0.297  -2.546  0.00  0.00    -0.205 F 
ATOM     12  C   LIG    1        2.307  -0.069  -1.233  0.00  0.00    +0.128 A 
ATOM     13  C   LIG    1        1.212  -0.195  -0.369  0.00  0.00    +0.009 A 
ATOM     14  C   LIG    1        1.422   0.067   0.999  0.00  0.00    +0.008 A 
ATOM     15  C   LIG    1        2.684   0.440   1.472  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        3.756   0.556   0.589  0.00  0.00    +0.003 A 
ATOM     17  C   LIG    1        3.566   0.302  -0.767  0.00  0.00    +0.039 A 
ENDBRANCH   1  13
TORSDOF 1