REMARK  Name = BDB051833
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.311  -1.826   0.759  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1        0.298  -1.177   1.989  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        1.437  -0.778   2.573  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -0.908  -0.926   2.635  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -2.111  -1.329   2.048  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -2.120  -1.981   0.803  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -0.890  -2.254   0.181  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1  13
ATOM      8  C   LIG    1        5.450   1.821  -1.105  0.00  0.00    +0.215 C 
ATOM      9  N   LIG    1        4.446   0.905  -0.801  0.00  0.00    -0.298 N 
ATOM     10  C   LIG    1        4.845  -0.499  -0.640  0.00  0.00    +0.126 C 
ATOM     11  C   LIG    1        3.704  -1.481  -0.924  0.00  0.00    +0.127 C 
ATOM     12  N   LIG    1        2.470  -1.115  -0.224  0.00  0.00    -0.294 N 
ATOM     13  C   LIG    1        1.579  -2.143   0.080  0.00  0.00    +0.249 C 
ATOM     14  O   LIG    1        1.785  -3.324  -0.194  0.00  0.00    -0.270 OA
ATOM     15  C   LIG    1        2.056   0.278  -0.422  0.00  0.00    +0.127 C 
ATOM     16  C   LIG    1        3.191   1.270  -0.132  0.00  0.00    +0.126 C 
ATOM     17  O   LIG    1        6.595   1.466  -1.387  0.00  0.00    -0.276 OA
BRANCH   8  19
ATOM     18  C   LIG    1        6.209   4.202  -1.496  0.00  0.00    +0.013 C 
ATOM     19  C   LIG    1        5.059   3.292  -1.094  0.00  0.00    +0.092 C 
ENDBRANCH   8  19
ENDBRANCH   1  13
BRANCH   6  20
ATOM     20  C   LIG    1       -3.398  -2.466   0.143  0.00  0.00    +0.090 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.633  -1.635   0.409  0.00  0.00    +0.046 A 
ATOM     22  N   LIG    1       -4.851  -0.358  -0.170  0.00  0.00    -0.296 N 
ATOM     23  C   LIG    1       -5.998   0.368   0.165  0.00  0.00    +0.114 A 
ATOM     24  C   LIG    1       -5.975   1.590  -0.478  0.00  0.00    +0.054 A 
ATOM     25  C   LIG    1       -4.809   1.625  -1.259  0.00  0.00    +0.078 A 
ATOM     26 CL   LIG    1       -4.361   2.932  -2.248  0.00  0.00    -0.080 Cl
ATOM     27  C   LIG    1       -6.995  -0.163   1.061  0.00  0.00    +0.273 A 
ATOM     28  O   LIG    1       -8.020   0.424   1.390  0.00  0.00    -0.266 OA
ATOM     29  N   LIG    1       -6.710  -1.422   1.543  0.00  0.00    -0.326 N 
ATOM     30  H   LIG    1       -7.406  -1.809   2.171  0.00  0.00    +0.168 HD
ATOM     31  C   LIG    1       -4.155   0.430  -1.074  0.00  0.00    +0.133 A 
ATOM     32 CL   LIG    1       -2.716  -0.072  -1.847  0.00  0.00    -0.062 Cl
ATOM     33  C   LIG    1       -5.577  -2.132   1.238  0.00  0.00    +0.108 A 
ENDBRANCH  20  21
ENDBRANCH   6  20
TORSDOF 4