REMARK  Name = BDB000225
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -3.968   0.919  -1.456  0.00  0.00    -0.265 OA
ATOM      2  C   LIG    1       -2.878   0.384  -1.276  0.00  0.00    +0.281 A 
ATOM      3  C   LIG    1       -2.292   0.354   0.116  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1       -1.091  -0.243   0.295  0.00  0.00    +0.080 A 
ATOM      5  N   LIG    1       -0.418  -0.816  -0.792  0.00  0.00    -0.220 N 
ATOM      6  N   LIG    1        0.811  -1.438  -0.691  0.00  0.00    -0.158 NA
ATOM      7  C   LIG    1        1.346  -1.474   0.486  0.00  0.00    +0.122 A 
ATOM      8  C   LIG    1        0.759  -0.929   1.725  0.00  0.00    +0.039 A 
ATOM      9  C   LIG    1       -1.034  -0.736  -2.024  0.00  0.00    +0.227 A 
ATOM     10  C   LIG    1       -0.431  -0.333   1.593  0.00  0.00    +0.031 A 
ATOM     11  N   LIG    1       -2.170  -0.194  -2.304  0.00  0.00    -0.197 NA
ENDROOT
BRANCH   3  12
ATOM     12  C   LIG    1       -3.075   0.985   1.202  0.00  0.00    +0.026 A 
ATOM     13  C   LIG    1       -4.018   0.244   1.937  0.00  0.00    +0.050 A 
ATOM     14 CL   LIG    1       -4.280  -1.442   1.648  0.00  0.00    -0.083 Cl
ATOM     15  C   LIG    1       -4.772   0.848   2.949  0.00  0.00    +0.021 A 
ATOM     16  C   LIG    1       -4.598   2.199   3.241  0.00  0.00    +0.003 A 
ATOM     17  C   LIG    1       -3.668   2.948   2.524  0.00  0.00    +0.021 A 
ATOM     18  C   LIG    1       -2.912   2.348   1.511  0.00  0.00    +0.050 A 
ATOM     19 CL   LIG    1       -1.765   3.342   0.678  0.00  0.00    -0.083 Cl
ENDBRANCH   3  12
BRANCH   7  20
ATOM     20  S   LIG    1        2.903  -2.243   0.722  0.00  0.00    -0.065 S 
BRANCH  20  21
ATOM     21  C   LIG    1        3.837  -1.525  -0.619  0.00  0.00    +0.050 A 
ATOM     22  C   LIG    1        3.965  -0.137  -0.769  0.00  0.00    +0.140 A 
ATOM     23  F   LIG    1        3.378   0.696   0.105  0.00  0.00    -0.204 F 
ATOM     24  C   LIG    1        4.701   0.411  -1.813  0.00  0.00    +0.077 A 
ATOM     25  C   LIG    1        5.323  -0.440  -2.715  0.00  0.00    +0.126 A 
ATOM     26  F   LIG    1        6.037   0.075  -3.724  0.00  0.00    -0.205 F 
ATOM     27  C   LIG    1        5.221  -1.822  -2.586  0.00  0.00    +0.039 A 
ATOM     28  C   LIG    1        4.480  -2.367  -1.534  0.00  0.00    +0.021 A 
ENDBRANCH  20  21
ENDBRANCH   7  20
TORSDOF 3