REMARK  Name = BDB051844
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.694   1.641   0.042  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1        1.067   2.290  -1.128  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        2.336   2.264  -1.559  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1        0.111   2.956  -1.883  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -1.224   2.965  -1.464  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -1.618   2.308  -0.283  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -0.634   1.669   0.486  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1  14
ATOM      8  C   LIG    1        3.971  -0.168  -3.348  0.00  0.00    +0.109 C 
ATOM      9  C   LIG    1        2.786  -0.931  -2.808  0.00  0.00    +0.213 C 
ATOM     10  N   LIG    1        2.919  -1.490  -1.538  0.00  0.00    -0.300 N 
ATOM     11  C   LIG    1        1.757  -2.196  -0.991  0.00  0.00    +0.126 C 
ATOM     12  C   LIG    1        0.875  -1.291  -0.117  0.00  0.00    +0.127 C 
ATOM     13  N   LIG    1        1.649  -0.482   0.845  0.00  0.00    -0.296 N 
ATOM     14  C   LIG    1        1.702   0.915   0.824  0.00  0.00    +0.249 C 
ATOM     15  O   LIG    1        2.524   1.579   1.450  0.00  0.00    -0.270 OA
ATOM     16  C   LIG    1        2.668  -1.182   1.621  0.00  0.00    +0.109 C 
ATOM     17  C   LIG    1        3.905  -1.605   0.813  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1        3.987  -1.065  -0.618  0.00  0.00    +0.109 C 
ATOM     19  O   LIG    1        1.761  -1.048  -3.480  0.00  0.00    -0.276 OA
ENDBRANCH   1  14
BRANCH   6  20
ATOM     20  C   LIG    1       -3.083   2.346   0.116  0.00  0.00    +0.090 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.527   1.315   1.128  0.00  0.00    +0.046 A 
ATOM     22  N   LIG    1       -3.642  -0.067   0.827  0.00  0.00    -0.296 N 
ATOM     23  C   LIG    1       -3.989  -0.971   1.836  0.00  0.00    +0.114 A 
ATOM     24  C   LIG    1       -3.972  -2.255   1.331  0.00  0.00    +0.054 A 
ATOM     25  C   LIG    1       -3.640  -2.160  -0.031  0.00  0.00    +0.078 A 
ATOM     26 CL   LIG    1       -3.508  -3.492  -1.077  0.00  0.00    -0.080 Cl
ATOM     27  C   LIG    1       -4.290  -0.528   3.175  0.00  0.00    +0.273 A 
ATOM     28  O   LIG    1       -4.610  -1.270   4.098  0.00  0.00    -0.266 OA
ATOM     29  N   LIG    1       -4.188   0.833   3.359  0.00  0.00    -0.326 N 
ATOM     30  H   LIG    1       -4.392   1.157   4.298  0.00  0.00    +0.168 HD
ATOM     31  C   LIG    1       -3.473  -0.827  -0.320  0.00  0.00    +0.133 A 
ATOM     32 CL   LIG    1       -3.137  -0.150  -1.852  0.00  0.00    -0.062 Cl
ATOM     33  C   LIG    1       -3.814   1.722   2.384  0.00  0.00    +0.108 A 
ENDBRANCH  20  21
ENDBRANCH   6  20
TORSDOF 3