REMARK  Name = BDB009057
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.918   1.219  -0.984  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -0.190   1.535  -0.185  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -1.321   2.172  -0.723  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -1.314   2.527  -2.077  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -0.214   2.220  -2.877  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        0.894   1.565  -2.334  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   9
ATOM      7  O   LIG    1        3.493   0.235  -2.106  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        3.166   0.114  -0.930  0.00  0.00    +0.250 C 
ATOM      9  N   LIG    1        1.995   0.562  -0.353  0.00  0.00    -0.281 N 
ATOM     10  H   LIG    1        1.866   0.368   0.633  0.00  0.00    +0.155 HD
BRANCH   8  11
ATOM     11  C   LIG    1        4.149  -0.530  -0.008  0.00  0.00    +0.056 A 
ATOM     12  C   LIG    1        3.814  -1.356   1.074  0.00  0.00    +0.053 A 
ATOM     13 CL   LIG    1        2.192  -1.790   1.481  0.00  0.00    -0.083 Cl
ATOM     14  C   LIG    1        4.826  -1.900   1.875  0.00  0.00    +0.021 A 
ATOM     15  C   LIG    1        6.171  -1.637   1.601  0.00  0.00    +0.014 A 
ATOM     16  C   LIG    1        6.529  -0.835   0.511  0.00  0.00    +0.056 A 
ATOM     17  C   LIG    1        5.509  -0.284  -0.283  0.00  0.00    +0.027 A 
BRANCH  16  18
ATOM     18  C   LIG    1        7.979  -0.533   0.210  0.00  0.00    +0.417 C 
ATOM     19  F   LIG    1        8.835  -1.455   0.729  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1        8.367   0.668   0.719  0.00  0.00    -0.166 F 
ATOM     21  F   LIG    1        8.246  -0.483  -1.123  0.00  0.00    -0.166 F 
ENDBRANCH  16  18
ENDBRANCH   8  11
ENDBRANCH   1   9
BRANCH   3  22
ATOM     22  C   LIG    1       -2.508   2.510   0.147  0.00  0.00    +0.092 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.995   1.340   0.998  0.00  0.00    +0.069 A 
ATOM     24  C   LIG    1       -3.725   0.205   0.352  0.00  0.00    -0.016 A 
ATOM     25  C   LIG    1       -4.033   0.218  -1.120  0.00  0.00    +0.037 C 
ATOM     26  C   LIG    1       -5.066  -0.836  -1.532  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1       -4.777  -2.176  -0.867  0.00  0.00    +0.005 C 
ATOM     28  C   LIG    1       -4.794  -2.046   0.657  0.00  0.00    +0.041 C 
ATOM     29  C   LIG    1       -4.088  -0.814   1.152  0.00  0.00    +0.023 A 
ATOM     30  C   LIG    1       -3.790  -0.762   2.605  0.00  0.00    +0.268 A 
ATOM     31  O   LIG    1       -4.122  -1.664   3.367  0.00  0.00    -0.266 OA
ATOM     32  N   LIG    1       -3.129   0.354   3.041  0.00  0.00    -0.243 N 
ATOM     33  H   LIG    1       -2.920   0.410   4.032  0.00  0.00    +0.192 HD
ATOM     34  N   LIG    1       -2.722   1.396   2.269  0.00  0.00    -0.175 NA
ENDBRANCH  22  23
ENDBRANCH   3  22
TORSDOF 5