REMARK  Name = BDB059024
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.820   1.529  -1.722  0.00  0.00    +0.164 A 
ATOM      2  C   LIG    1        0.303   2.401  -2.662  0.00  0.00    +0.181 A 
ATOM      3  F   LIG    1        1.052   3.352  -3.235  0.00  0.00    -0.200 F 
ATOM      4  C   LIG    1       -1.014   2.238  -2.994  0.00  0.00    +0.156 A 
ATOM      5  N   LIG    1       -1.797   1.286  -2.452  0.00  0.00    -0.220 NA
ATOM      6  C   LIG    1       -1.243   0.467  -1.540  0.00  0.00    +0.220 A 
ATOM      7  N   LIG    1        0.046   0.572  -1.170  0.00  0.00    -0.196 NA
ENDROOT
BRANCH   6   8
ATOM      8  N   LIG    1       -2.023  -0.533  -0.993  0.00  0.00    -0.297 N 
ATOM      9  C   LIG    1       -3.475  -0.350  -1.092  0.00  0.00    +0.126 C 
ATOM     10  C   LIG    1       -4.226  -1.367  -0.195  0.00  0.00    +0.068 C 
ATOM     11  C   LIG    1       -5.737  -1.177  -0.315  0.00  0.00    +0.025 C 
ATOM     12  N   LIG    1       -3.854  -1.258   1.232  0.00  0.00    -0.308 NA
ATOM     13  H   LIG    1       -4.167  -2.095   1.722  0.00  0.00    +0.123 HD
ATOM     14  C   LIG    1       -2.394  -1.088   1.422  0.00  0.00    +0.068 C 
ATOM     15  C   LIG    1       -2.152   0.291   2.042  0.00  0.00    +0.025 C 
ATOM     16  C   LIG    1       -1.521  -1.295   0.153  0.00  0.00    +0.126 C 
ENDBRANCH   6   8
BRANCH   1  17
ATOM     17  N   LIG    1        2.175   1.695  -1.329  0.00  0.00    -0.297 N 
ATOM     18  H   LIG    1        2.745   1.910  -2.141  0.00  0.00    +0.154 HD
BRANCH  17  23
ATOM     19  C   LIG    1        4.409  -0.183   1.759  0.00  0.00    +0.138 A 
ATOM     20  C   LIG    1        3.017  -0.054   1.869  0.00  0.00    +0.084 A 
ATOM     21 CL   LIG    1        2.163  -0.644   3.255  0.00  0.00    -0.080 Cl
ATOM     22  C   LIG    1        2.271   0.564   0.858  0.00  0.00    +0.047 A 
ATOM     23  C   LIG    1        2.885   1.044  -0.301  0.00  0.00    +0.034 A 
ATOM     24  C   LIG    1        4.279   0.941  -0.391  0.00  0.00    +0.027 A 
ATOM     25  C   LIG    1        5.034   0.328   0.620  0.00  0.00    +0.049 A 
BRANCH  19  27
ATOM     26  C   LIG    1        6.469  -0.953   2.691  0.00  0.00    +0.277 C 
ATOM     27  O   LIG    1        5.060  -0.801   2.793  0.00  0.00    -0.494 OA
ENDBRANCH  19  27
ENDBRANCH  17  23
ENDBRANCH   1  17
TORSDOF 4