REMARK  Name = BDB009112
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.258   1.560   0.253  0.00  0.00    +0.018 A 
ATOM      2  C   LIG    1        0.957   2.909   0.492  0.00  0.00    +0.131 A 
ATOM      3  F   LIG    1        1.669   3.877  -0.105  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -0.065   3.291   1.358  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -0.825   2.320   2.008  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -0.572   0.961   1.784  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1        0.478   0.596   0.920  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  10
ATOM      8  C   LIG    1        4.354  -0.139  -1.117  0.00  0.00    +0.088 A 
ATOM      9  C   LIG    1        3.326   0.237  -0.244  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1        2.345   1.155  -0.655  0.00  0.00    -0.013 A 
ATOM     11  C   LIG    1        2.429   1.667  -1.962  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1        3.448   1.273  -2.836  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1        4.413   0.363  -2.417  0.00  0.00    +0.027 A 
BRANCH   8  15
ATOM     14  C   LIG    1        6.808  -0.268   0.188  0.00  0.00    +0.200 C 
ATOM     15  S   LIG    1        5.580  -1.301  -0.568  0.00  0.00    -0.006 S 
ATOM     16  O   LIG    1        6.168  -1.910  -1.746  0.00  0.00    -0.170 OA
ATOM     17  O   LIG    1        4.976  -2.117   0.468  0.00  0.00    -0.170 OA
ENDBRANCH   8  15
ENDBRANCH   1  10
BRANCH   6  18
ATOM     18  C   LIG    1       -1.388  -0.094   2.497  0.00  0.00    +0.092 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.947  -1.167   1.567  0.00  0.00    +0.069 A 
ATOM     20  C   LIG    1       -3.095  -0.844   0.662  0.00  0.00    -0.016 A 
ATOM     21  C   LIG    1       -3.745   0.511   0.687  0.00  0.00    +0.037 C 
ATOM     22  C   LIG    1       -5.094   0.550  -0.039  0.00  0.00    +0.005 C 
ATOM     23  C   LIG    1       -5.023  -0.193  -1.367  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1       -4.623  -1.655  -1.156  0.00  0.00    +0.041 C 
ATOM     25  C   LIG    1       -3.509  -1.823  -0.161  0.00  0.00    +0.023 A 
ATOM     26  C   LIG    1       -2.855  -3.156  -0.122  0.00  0.00    +0.268 A 
ATOM     27  O   LIG    1       -3.221  -4.076  -0.846  0.00  0.00    -0.266 OA
ATOM     28  N   LIG    1       -1.831  -3.293   0.774  0.00  0.00    -0.243 N 
ATOM     29  H   LIG    1       -1.365  -4.194   0.813  0.00  0.00    +0.192 HD
ATOM     30  N   LIG    1       -1.363  -2.328   1.609  0.00  0.00    -0.175 NA
ENDBRANCH  18  19
ENDBRANCH   6  18
TORSDOF 4