REMARK  Name = BDB058834
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.639  -2.146   1.448  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1       -0.043  -0.960   1.651  0.00  0.00    -0.196 NA
ATOM      3  C   LIG    1        0.372  -0.642   2.894  0.00  0.00    +0.164 A 
ATOM      4  C   LIG    1        0.198  -1.524   3.945  0.00  0.00    +0.181 A 
ATOM      5  F   LIG    1        0.593  -1.232   5.192  0.00  0.00    -0.200 F 
ATOM      6  C   LIG    1       -0.411  -2.717   3.657  0.00  0.00    +0.156 A 
ATOM      7  N   LIG    1       -0.834  -3.051   2.422  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   1   8
ATOM      8  N   LIG    1       -1.080  -2.537   0.187  0.00  0.00    -0.284 N 
ATOM      9  H   LIG    1       -1.462  -3.470   0.246  0.00  0.00    +0.155 HD
BRANCH   8  13
ATOM     10  C   LIG    1       -1.422  -0.665  -3.590  0.00  0.00    +0.059 A 
ATOM     11  C   LIG    1       -1.630  -2.038  -3.442  0.00  0.00    +0.017 A 
ATOM     12  C   LIG    1       -1.522  -2.632  -2.179  0.00  0.00    +0.024 A 
ATOM     13  C   LIG    1       -1.213  -1.875  -1.037  0.00  0.00    +0.034 A 
ATOM     14  C   LIG    1       -0.999  -0.502  -1.208  0.00  0.00    +0.024 A 
ATOM     15  C   LIG    1       -1.105   0.102  -2.467  0.00  0.00    +0.017 A 
BRANCH  10  17
ATOM     16  O   LIG    1       -1.824  -0.679  -5.963  0.00  0.00    -0.245 OA
ATOM     17  C   LIG    1       -1.545  -0.074  -4.944  0.00  0.00    +0.337 C 
BRANCH  17  18
ATOM     18  O   LIG    1       -1.311   1.250  -4.961  0.00  0.00    -0.477 OA
ATOM     19  H   LIG    1       -1.428   1.496  -5.902  0.00  0.00    +0.295 HD
ENDBRANCH  17  18
ENDBRANCH  10  17
ENDBRANCH   8  13
ENDBRANCH   1   8
BRANCH   3  20
ATOM     20  N   LIG    1        1.035   0.583   3.151  0.00  0.00    -0.295 N 
ATOM     21  H   LIG    1        0.735   0.981   4.039  0.00  0.00    +0.154 HD
BRANCH  20  22
ATOM     22  C   LIG    1        1.432   1.587   2.240  0.00  0.00    +0.068 A 
ATOM     23  C   LIG    1        1.522   2.916   2.686  0.00  0.00    +0.144 A 
ATOM     24  F   LIG    1        1.186   3.204   3.954  0.00  0.00    -0.204 F 
ATOM     25  C   LIG    1        1.939   3.949   1.850  0.00  0.00    +0.040 A 
ATOM     26  C   LIG    1        2.293   3.665   0.534  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1        2.235   2.351   0.073  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        1.817   1.320   0.923  0.00  0.00    +0.026 A 
ENDBRANCH  20  22
ENDBRANCH   3  20
TORSDOF 6