REMARK  Name = BDB054537
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.262  -0.689   0.203  0.00  0.00    +0.103 C 
ATOM      2  C   LIG    1       -1.036  -1.624  -0.016  0.00  0.00    +0.109 C 
ATOM      3  C   LIG    1       -1.257  -2.982   0.677  0.00  0.00    +0.095 C 
ATOM      4  N   LIG    1       -2.490  -3.634   0.213  0.00  0.00    -0.315 NA
ATOM      5  H   LIG    1       -2.590  -4.527   0.701  0.00  0.00    +0.122 HD
ATOM      6  C   LIG    1       -3.655  -2.800   0.509  0.00  0.00    +0.084 C 
ATOM      7  C   LIG    1       -3.550  -1.449  -0.200  0.00  0.00    +0.055 C 
ENDROOT
BRANCH   1   8
ATOM      8  C   LIG    1       -2.103   0.640  -0.554  0.00  0.00    -0.012 A 
ATOM      9  C   LIG    1       -2.399   0.753  -1.925  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -2.208   1.961  -2.597  0.00  0.00    +0.159 A 
ATOM     11  F   LIG    1       -2.503   2.034  -3.902  0.00  0.00    -0.202 F 
ATOM     12  C   LIG    1       -1.711   3.070  -1.931  0.00  0.00    +0.158 A 
ATOM     13  F   LIG    1       -1.526   4.226  -2.583  0.00  0.00    -0.202 F 
ATOM     14  C   LIG    1       -1.390   2.986  -0.584  0.00  0.00    +0.041 A 
ATOM     15  C   LIG    1       -1.579   1.780   0.097  0.00  0.00    +0.009 A 
ENDBRANCH   1   8
BRANCH   2  16
ATOM     16  C   LIG    1        0.260  -1.012   0.418  0.00  0.00    +0.159 A 
ATOM     17  C   LIG    1        1.325  -0.452  -0.238  0.00  0.00    +0.088 A 
ATOM     18 BR   LIG    1        1.566  -0.230  -2.080  0.00  0.00    -0.044 Br
ATOM     19  C   LIG    1        2.223  -0.045   0.773  0.00  0.00    +0.130 A 
ATOM     20  N   LIG    1        1.729  -0.348   1.984  0.00  0.00    -0.077 NA
ATOM     21  O   LIG    1        0.502  -0.947   1.758  0.00  0.00    -0.357 OA
BRANCH  19  22
ATOM     22  C   LIG    1        3.511   0.614   0.636  0.00  0.00    +0.041 A 
ATOM     23  C   LIG    1        4.687  -0.137   0.467  0.00  0.00    +0.052 A 
ATOM     24 CL   LIG    1        4.676  -1.867   0.398  0.00  0.00    -0.083 Cl
ATOM     25  C   LIG    1        5.926   0.501   0.334  0.00  0.00    +0.021 A 
ATOM     26  C   LIG    1        6.006   1.891   0.365  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1        4.848   2.648   0.527  0.00  0.00    +0.021 A 
ATOM     28  C   LIG    1        3.606   2.016   0.660  0.00  0.00    +0.052 A 
ATOM     29 CL   LIG    1        2.216   3.034   0.835  0.00  0.00    -0.083 Cl
ENDBRANCH  19  22
ENDBRANCH   2  16
BRANCH   1  30
ATOM     30  O   LIG    1       -2.421  -0.405   1.607  0.00  0.00    -0.383 OA
ATOM     31  H   LIG    1       -3.095   0.291   1.692  0.00  0.00    +0.211 HD
ENDBRANCH   1  30
TORSDOF 4