REMARK  Name = BDB042469
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.422  -1.378  -0.094  0.00  0.00    -0.299 NA
ATOM      2  C   LIG    1        0.975  -0.067   0.324  0.00  0.00    +0.103 C 
ATOM      3  C   LIG    1        2.409   0.220  -0.184  0.00  0.00    +0.120 C 
ATOM      4  N   LIG    1        3.346  -0.799   0.316  0.00  0.00    -0.327 N 
ATOM      5  C   LIG    1        2.787  -2.141   0.547  0.00  0.00    +0.120 C 
ATOM      6  C   LIG    1        1.506  -2.366  -0.292  0.00  0.00    +0.103 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        4.702  -0.549   0.455  0.00  0.00    +0.033 A 
ATOM      8  C   LIG    1        5.332   0.529  -0.198  0.00  0.00    +0.069 A 
ATOM      9  C   LIG    1        6.701   0.791  -0.055  0.00  0.00    +0.132 A 
ATOM     10  C   LIG    1        7.472  -0.038   0.757  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1        6.884  -1.111   1.417  0.00  0.00    +0.005 A 
ATOM     12  C   LIG    1        5.517  -1.357   1.264  0.00  0.00    +0.023 A 
BRANCH   9  13
ATOM     13  O   LIG    1        7.402   1.805  -0.646  0.00  0.00    -0.406 OA
BRANCH  13  14
ATOM     14  C   LIG    1        6.693   2.705  -1.478  0.00  0.00    +0.575 C 
ATOM     15  F   LIG    1        7.557   3.635  -1.944  0.00  0.00    -0.133 F 
ATOM     16  F   LIG    1        6.153   2.069  -2.540  0.00  0.00    -0.133 F 
ATOM     17  F   LIG    1        5.721   3.345  -0.793  0.00  0.00    -0.133 F 
ENDBRANCH  13  14
ENDBRANCH   9  13
ENDBRANCH   4   7
BRANCH   1  18
ATOM     18  C   LIG    1       -0.593  -1.871   0.849  0.00  0.00    +0.085 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.842  -0.983   0.942  0.00  0.00    +0.021 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.564  -0.840  -0.404  0.00  0.00    +0.054 C 
BRANCH  20  30
ATOM     21  O   LIG    1       -4.528   3.424   0.189  0.00  0.00    -0.267 OA
ATOM     22  C   LIG    1       -4.724   2.225   0.028  0.00  0.00    +0.257 A 
ATOM     23  C   LIG    1       -6.093   1.660  -0.043  0.00  0.00    +0.049 A 
ATOM     24  C   LIG    1       -6.243   0.276  -0.233  0.00  0.00    -0.011 A 
ATOM     25  C   LIG    1       -7.531  -0.268  -0.302  0.00  0.00    +0.011 A 
ATOM     26  C   LIG    1       -8.646   0.565  -0.182  0.00  0.00    +0.039 A 
ATOM     27  C   LIG    1       -8.473   1.933   0.006  0.00  0.00    +0.124 A 
ATOM     28  F   LIG    1       -9.551   2.721   0.119  0.00  0.00    -0.205 F 
ATOM     29  C   LIG    1       -5.056  -0.573  -0.354  0.00  0.00    +0.030 A 
ATOM     30  C   LIG    1       -3.831  -0.029  -0.277  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1       -7.206   2.494   0.077  0.00  0.00    +0.052 A 
ATOM     32  N   LIG    1       -3.687   1.329  -0.098  0.00  0.00    -0.326 N 
ATOM     33  H   LIG    1       -2.760   1.736  -0.056  0.00  0.00    +0.169 HD
ENDBRANCH  20  30
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 7