REMARK  Name = BDB057038
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.572   0.371   1.424  0.00  0.00    -0.253 OA
ATOM      2  C   LIG    1       -2.294   0.676   0.273  0.00  0.00    +0.304 C 
ATOM      3  N   LIG    1       -1.088   1.259  -0.077  0.00  0.00    -0.296 N 
ATOM      4  H   LIG    1       -0.765   1.028  -1.005  0.00  0.00    +0.151 HD
ATOM      5  N   LIG    1       -3.094   0.523  -0.839  0.00  0.00    -0.269 N 
ATOM      6  H   LIG    1       -2.816   1.065  -1.642  0.00  0.00    +0.156 HD
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -0.051   1.480   0.930  0.00  0.00    +0.077 C 
ATOM      8  C   LIG    1        0.689   0.182   1.290  0.00  0.00    +0.038 C 
ATOM      9  C   LIG    1        2.023   0.081   0.554  0.00  0.00    +0.086 C 
ATOM     10  N   LIG    1        2.938   1.179   0.907  0.00  0.00    -0.298 NA
ATOM     11  C   LIG    1        2.257   2.458   1.156  0.00  0.00    +0.086 C 
ATOM     12  C   LIG    1        0.910   2.574   0.451  0.00  0.00    +0.038 C 
BRANCH  10  13
ATOM     13  C   LIG    1        4.030   1.323  -0.070  0.00  0.00    +0.119 C 
BRANCH  13  14
ATOM     14  C   LIG    1        4.932   0.107  -0.155  0.00  0.00    -0.033 A 
ATOM     15  C   LIG    1        5.619  -0.348   0.984  0.00  0.00    +0.008 A 
ATOM     16  C   LIG    1        6.457  -1.460   0.908  0.00  0.00    +0.038 A 
ATOM     17  C   LIG    1        6.612  -2.117  -0.306  0.00  0.00    +0.123 A 
ATOM     18  F   LIG    1        7.417  -3.186  -0.380  0.00  0.00    -0.205 F 
ATOM     19  C   LIG    1        5.946  -1.683  -1.446  0.00  0.00    +0.038 A 
ATOM     20  C   LIG    1        5.106  -0.570  -1.372  0.00  0.00    +0.008 A 
ENDBRANCH  13  14
ENDBRANCH  10  13
ENDBRANCH   3   7
BRANCH   5  21
ATOM     21  C   LIG    1       -4.350  -0.111  -0.910  0.00  0.00    +0.035 A 
ATOM     22  C   LIG    1       -4.898  -0.867   0.130  0.00  0.00    +0.035 A 
ATOM     23  C   LIG    1       -6.153  -1.486  -0.010  0.00  0.00    +0.057 A 
ATOM     24  C   LIG    1       -6.860  -1.331  -1.211  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1       -6.317  -0.587  -2.255  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -5.066   0.016  -2.106  0.00  0.00    +0.023 A 
BRANCH  23  27
ATOM     27  C   LIG    1       -6.734  -2.278   1.135  0.00  0.00    +0.417 C 
ATOM     28  F   LIG    1       -5.816  -3.067   1.759  0.00  0.00    -0.166 F 
ATOM     29  F   LIG    1       -7.269  -1.483   2.101  0.00  0.00    -0.166 F 
ATOM     30  F   LIG    1       -7.737  -3.119   0.750  0.00  0.00    -0.166 F 
ENDBRANCH  23  27
ENDBRANCH   5  21
TORSDOF 5