REMARK  Name = BDB056225
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.212  -2.728  -0.406  0.00  0.00    -0.293 N 
ATOM      2  C   LIG    1       -0.866  -2.386  -0.205  0.00  0.00    +0.230 C 
ATOM      3  O   LIG    1       -0.145  -3.091   0.505  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1   5
ATOM      4  C   LIG    1       -2.401  -5.173  -0.756  0.00  0.00    +0.024 C 
ATOM      5  C   LIG    1       -2.686  -3.992   0.160  0.00  0.00    +0.105 C 
ENDBRANCH   1   5
BRANCH   2   6
ATOM      6  C   LIG    1       -0.358  -1.099  -0.899  0.00  0.00    +0.180 C 
BRANCH   6   7
ATOM      7  N   LIG    1        1.023  -0.697  -0.568  0.00  0.00    -0.294 NA
ATOM      8  C   LIG    1        1.235  -0.401   0.845  0.00  0.00    +0.085 C 
ATOM      9  C   LIG    1        2.529   0.408   0.998  0.00  0.00    +0.027 C 
ATOM     10  C   LIG    1        3.670  -0.094   0.095  0.00  0.00    +0.063 C 
ATOM     11  C   LIG    1        3.381  -1.521  -0.389  0.00  0.00    +0.027 C 
ATOM     12  C   LIG    1        2.039  -1.597  -1.126  0.00  0.00    +0.085 C 
BRANCH  10  13
ATOM     13  C   LIG    1        5.009  -0.026   0.827  0.00  0.00    +0.166 C 
ATOM     14  O   LIG    1        5.584  -1.040   1.224  0.00  0.00    -0.292 OA
BRANCH  13  15
ATOM     15  C   LIG    1        5.648   1.304   1.090  0.00  0.00    +0.018 A 
ATOM     16  C   LIG    1        6.775   1.340   1.930  0.00  0.00    +0.014 A 
ATOM     17  C   LIG    1        7.413   2.550   2.211  0.00  0.00    +0.039 A 
ATOM     18  C   LIG    1        6.928   3.724   1.652  0.00  0.00    +0.123 A 
ATOM     19  F   LIG    1        7.538   4.886   1.919  0.00  0.00    -0.205 F 
ATOM     20  C   LIG    1        5.818   3.710   0.815  0.00  0.00    +0.039 A 
ATOM     21  C   LIG    1        5.176   2.500   0.531  0.00  0.00    +0.014 A 
ENDBRANCH  13  15
ENDBRANCH  10  13
ENDBRANCH   6   7
ENDBRANCH   2   6
BRANCH   1  22
ATOM     22  C   LIG    1       -3.078  -2.065  -1.386  0.00  0.00    +0.182 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.654  -0.766  -0.836  0.00  0.00    +0.127 A 
ATOM     24  N   LIG    1       -4.164  -0.815   0.431  0.00  0.00    -0.309 N 
ATOM     25  H   LIG    1       -4.074  -1.650   0.992  0.00  0.00    +0.170 HD
ATOM     26  C   LIG    1       -4.698   0.277   1.049  0.00  0.00    +0.257 A 
ATOM     27  O   LIG    1       -5.126   0.238   2.196  0.00  0.00    -0.267 OA
ATOM     28  C   LIG    1       -4.726   1.501   0.233  0.00  0.00    +0.064 A 
ATOM     29  C   LIG    1       -5.296   2.743   0.836  0.00  0.00    +0.202 C 
ATOM     30  O   LIG    1       -4.988   3.913   0.061  0.00  0.00    -0.375 OA
ATOM     31  C   LIG    1       -5.222   3.705  -1.333  0.00  0.00    +0.166 C 
ATOM     32  C   LIG    1       -4.245   2.664  -1.879  0.00  0.00    +0.084 C 
ATOM     33  C   LIG    1       -4.219   1.434  -1.008  0.00  0.00    +0.056 A 
ATOM     34  N   LIG    1       -3.676   0.302  -1.568  0.00  0.00    -0.237 NA
ENDBRANCH  22  23
ENDBRANCH   1  22
TORSDOF 7