REMARK  Name = BDB042565
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.540  -0.558  -0.750  0.00  0.00    +0.102 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.607  -0.664  -1.739  0.00  0.00    +0.216 C 
ATOM      3  N   LIG    1        1.834  -0.139  -1.342  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1        2.004   0.793  -0.227  0.00  0.00    +0.113 C 
ATOM      5  C   LIG    1        3.329   0.574   0.501  0.00  0.00    +0.056 C 
ATOM      6  C   LIG    1        4.484   0.417  -0.456  0.00  0.00    -0.023 C 
ATOM      7  C   LIG    1        4.253   0.086  -1.742  0.00  0.00    -0.003 C 
ATOM      8  C   LIG    1        2.898  -0.158  -2.339  0.00  0.00    +0.135 C 
ATOM      9  O   LIG    1        0.453  -1.200  -2.837  0.00  0.00    -0.276 OA
BRANCH   6  10
ATOM     10  C   LIG    1        5.838   0.604   0.109  0.00  0.00    +0.067 A 
ATOM     11  N   LIG    1        5.961   0.321   1.430  0.00  0.00    -0.252 NA
ATOM     12  C   LIG    1        7.184   0.477   1.993  0.00  0.00    +0.149 A 
ATOM     13  C   LIG    1        8.295   0.914   1.299  0.00  0.00    +0.141 A 
ATOM     14  F   LIG    1        9.477   1.051   1.912  0.00  0.00    -0.204 F 
ATOM     15  C   LIG    1        8.164   1.214  -0.046  0.00  0.00    +0.042 A 
ATOM     16  C   LIG    1        6.917   1.059  -0.653  0.00  0.00    +0.031 A 
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  C   LIG    1       -1.792  -1.278  -1.257  0.00  0.00    +0.062 C 
BRANCH  17  25
ATOM     18  C   LIG    1       -6.413   1.362  -1.048  0.00  0.00    +0.044 C 
ATOM     19  C   LIG    1       -6.252   0.536   0.201  0.00  0.00    -0.042 A 
ATOM     20  C   LIG    1       -5.117  -0.276   0.428  0.00  0.00    -0.005 A 
ATOM     21  C   LIG    1       -5.032  -1.026   1.619  0.00  0.00    +0.082 A 
ATOM     22  C   LIG    1       -3.842  -1.881   1.854  0.00  0.00    +0.259 A 
ATOM     23  N   LIG    1       -2.881  -1.873   0.866  0.00  0.00    -0.326 N 
ATOM     24  H   LIG    1       -2.089  -2.480   1.045  0.00  0.00    +0.169 HD
ATOM     25  C   LIG    1       -2.946  -1.143  -0.294  0.00  0.00    +0.020 A 
ATOM     26  O   LIG    1       -3.691  -2.564   2.859  0.00  0.00    -0.267 OA
ATOM     27  C   LIG    1       -6.056  -0.966   2.563  0.00  0.00    +0.136 A 
ATOM     28  F   LIG    1       -6.005  -1.664   3.705  0.00  0.00    -0.205 F 
ATOM     29  C   LIG    1       -7.172  -0.167   2.342  0.00  0.00    +0.039 A 
ATOM     30  C   LIG    1       -4.013  -0.368  -0.541  0.00  0.00    +0.030 A 
ATOM     31  C   LIG    1       -7.271   0.579   1.169  0.00  0.00    +0.007 A 
ENDBRANCH  17  25
ENDBRANCH   1  17
TORSDOF 4