REMARK  Name = BDB054534
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.079  -0.905   0.322  0.00  0.00    +0.103 C 
ATOM      2  C   LIG    1       -1.018  -1.364  -0.735  0.00  0.00    +0.109 C 
ATOM      3  C   LIG    1       -1.150  -2.874  -1.056  0.00  0.00    +0.095 C 
ATOM      4  N   LIG    1       -1.805  -3.620   0.019  0.00  0.00    -0.315 NA
ATOM      5  H   LIG    1       -1.783  -4.622  -0.182  0.00  0.00    +0.122 HD
ATOM      6  C   LIG    1       -3.194  -3.193   0.217  0.00  0.00    +0.084 C 
ATOM      7  C   LIG    1       -3.391  -1.678   0.067  0.00  0.00    +0.055 C 
ENDROOT
BRANCH   1   8
ATOM      8  C   LIG    1       -2.278   0.616   0.271  0.00  0.00    -0.012 A 
ATOM      9  C   LIG    1       -3.007   1.228  -0.765  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -3.139   2.616  -0.815  0.00  0.00    +0.159 A 
ATOM     11  F   LIG    1       -3.838   3.168  -1.817  0.00  0.00    -0.202 F 
ATOM     12  C   LIG    1       -2.549   3.418   0.150  0.00  0.00    +0.158 A 
ATOM     13  F   LIG    1       -2.676   4.751   0.092  0.00  0.00    -0.202 F 
ATOM     14  C   LIG    1       -1.817   2.844   1.180  0.00  0.00    +0.041 A 
ATOM     15  C   LIG    1       -1.682   1.454   1.237  0.00  0.00    +0.009 A 
ENDBRANCH   1   8
BRANCH   2  16
ATOM     16  C   LIG    1        0.376  -0.989  -0.340  0.00  0.00    +0.159 A 
ATOM     17  C   LIG    1        1.227   0.033  -0.670  0.00  0.00    +0.088 A 
ATOM     18 BR   LIG    1        0.937   1.423  -1.891  0.00  0.00    -0.044 Br
ATOM     19  C   LIG    1        2.391  -0.176   0.104  0.00  0.00    +0.129 A 
ATOM     20  N   LIG    1        2.271  -1.306   0.821  0.00  0.00    -0.077 NA
ATOM     21  O   LIG    1        1.005  -1.795   0.561  0.00  0.00    -0.357 OA
BRANCH  19  22
ATOM     22  C   LIG    1        3.608   0.619   0.168  0.00  0.00    +0.023 A 
ATOM     23  C   LIG    1        3.646   1.887   0.769  0.00  0.00    +0.050 A 
ATOM     24 CL   LIG    1        2.262   2.600   1.525  0.00  0.00    -0.083 Cl
ATOM     25  C   LIG    1        4.840   2.617   0.791  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1        6.000   2.087   0.224  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        5.973   0.824  -0.363  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        4.784   0.091  -0.389  0.00  0.00    +0.011 A 
ENDBRANCH  19  22
ENDBRANCH   2  16
BRANCH   1  29
ATOM     29  O   LIG    1       -1.672  -1.256   1.657  0.00  0.00    -0.383 OA
ATOM     30  H   LIG    1       -1.353  -2.182   1.609  0.00  0.00    +0.211 HD
ENDBRANCH   1  29
TORSDOF 4