REMARK  Name = BDB054532
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.197  -0.591   0.647  0.00  0.00    +0.103 C 
ATOM      2  C   LIG    1       -1.046  -1.536   0.179  0.00  0.00    +0.108 C 
ATOM      3  C   LIG    1       -1.317  -2.971   0.662  0.00  0.00    +0.095 C 
ATOM      4  N   LIG    1       -2.563  -3.548   0.138  0.00  0.00    -0.315 NA
ATOM      5  H   LIG    1       -2.365  -4.212  -0.611  0.00  0.00    +0.122 HD
ATOM      6  C   LIG    1       -3.541  -2.559  -0.304  0.00  0.00    +0.084 C 
ATOM      7  C   LIG    1       -3.564  -1.332   0.603  0.00  0.00    +0.055 C 
ENDROOT
BRANCH   1   8
ATOM      8  C   LIG    1       -2.182   0.710  -0.177  0.00  0.00    -0.012 A 
ATOM      9  C   LIG    1       -1.467   1.836   0.283  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -1.420   3.009  -0.467  0.00  0.00    +0.159 A 
ATOM     11  F   LIG    1       -0.734   4.061  -0.002  0.00  0.00    -0.202 F 
ATOM     12  C   LIG    1       -2.071   3.086  -1.688  0.00  0.00    +0.158 A 
ATOM     13  F   LIG    1       -2.024   4.212  -2.412  0.00  0.00    -0.202 F 
ATOM     14  C   LIG    1       -2.772   1.990  -2.175  0.00  0.00    +0.041 A 
ATOM     15  C   LIG    1       -2.823   0.808  -1.428  0.00  0.00    +0.009 A 
ENDBRANCH   1   8
BRANCH   2  16
ATOM     16  C   LIG    1        0.319  -1.068   0.576  0.00  0.00    +0.145 A 
ATOM     17  O   LIG    1        0.735  -1.338   1.843  0.00  0.00    -0.359 OA
ATOM     18  N   LIG    1        2.008  -0.833   2.030  0.00  0.00    -0.078 NA
ATOM     19  C   LIG    1        2.348  -0.249   0.872  0.00  0.00    +0.116 A 
ATOM     20  C   LIG    1        1.313  -0.386  -0.085  0.00  0.00    +0.076 A 
BRANCH  19  21
ATOM     21  C   LIG    1        3.626   0.420   0.708  0.00  0.00    +0.040 A 
ATOM     22  C   LIG    1        4.753  -0.282   0.249  0.00  0.00    +0.052 A 
ATOM     23 CL   LIG    1        4.688  -1.960  -0.176  0.00  0.00    -0.083 Cl
ATOM     24  C   LIG    1        5.984   0.366   0.102  0.00  0.00    +0.021 A 
ATOM     25  C   LIG    1        6.106   1.721   0.406  0.00  0.00    +0.003 A 
ATOM     26  C   LIG    1        4.995   2.431   0.854  0.00  0.00    +0.021 A 
ATOM     27  C   LIG    1        3.760   1.788   1.005  0.00  0.00    +0.052 A 
ATOM     28 CL   LIG    1        2.428   2.753   1.546  0.00  0.00    -0.083 Cl
ENDBRANCH  19  21
ENDBRANCH   2  16
BRANCH   1  29
ATOM     29  O   LIG    1       -2.023  -0.242   2.032  0.00  0.00    -0.383 OA
ATOM     30  H   LIG    1       -2.718   0.397   2.268  0.00  0.00    +0.211 HD
ENDBRANCH   1  29
TORSDOF 4