REMARK  Name = BDB040547
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.259   0.724  -1.776  0.00  0.00    +0.226 C 
ATOM      2  N   LIG    1        1.054  -0.483  -1.142  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1        1.604  -0.684  -0.311  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        0.714   0.985  -2.849  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1   6
ATOM      5  C   LIG    1        2.315   2.999  -1.886  0.00  0.00    +0.029 C 
ATOM      6  C   LIG    1        2.141   1.736  -1.016  0.00  0.00    +0.101 C 
ATOM      7  C   LIG    1        1.415   2.156   0.277  0.00  0.00    +0.029 C 
BRANCH   6   8
ATOM      8  C   LIG    1        3.487   1.108  -0.667  0.00  0.00    +0.143 A 
ATOM      9  N   LIG    1        3.487   0.059   0.190  0.00  0.00    -0.239 NA
ATOM     10  C   LIG    1        4.686  -0.467   0.513  0.00  0.00    +0.118 A 
ATOM     11  C   LIG    1        5.886  -0.004   0.018  0.00  0.00    -0.003 A 
ATOM     12  C   LIG    1        5.782   1.069  -0.840  0.00  0.00    +0.118 A 
ATOM     13  N   LIG    1        4.611   1.632  -1.193  0.00  0.00    -0.239 NA
BRANCH  11  14
ATOM     14  C   LIG    1        7.205  -0.595   0.413  0.00  0.00    +0.151 C 
BRANCH  14  15
ATOM     15  C   LIG    1        7.677  -0.137   1.781  0.00  0.00    +0.394 C 
ATOM     16  F   LIG    1        7.825   1.204   1.833  0.00  0.00    -0.170 F 
ATOM     17  F   LIG    1        8.877  -0.690   2.071  0.00  0.00    -0.170 F 
ATOM     18  F   LIG    1        6.815  -0.507   2.752  0.00  0.00    -0.170 F 
ENDBRANCH  14  15
ENDBRANCH  11  14
ENDBRANCH   6   8
ENDBRANCH   1   6
BRANCH   2  19
ATOM     19  C   LIG    1        0.194  -1.510  -1.673  0.00  0.00    +0.139 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -1.165  -1.442  -1.029  0.00  0.00    -0.028 A 
ATOM     21  C   LIG    1       -1.437  -2.135   0.151  0.00  0.00    +0.025 A 
ATOM     22  C   LIG    1       -2.694  -2.042   0.765  0.00  0.00    +0.047 A 
ATOM     23 CL   LIG    1       -2.878  -2.923   2.246  0.00  0.00    -0.083 Cl
ATOM     24  C   LIG    1       -3.729  -1.255   0.215  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -3.426  -0.538  -0.963  0.00  0.00    +0.047 A 
ATOM     26 CL   LIG    1       -4.556   0.525  -1.735  0.00  0.00    -0.083 Cl
ATOM     27  C   LIG    1       -2.166  -0.632  -1.571  0.00  0.00    +0.025 A 
BRANCH  24  28
ATOM     28  C   LIG    1       -5.096  -1.180   0.893  0.00  0.00    +0.108 C 
ATOM     29  C   LIG    1       -6.261  -1.489  -0.043  0.00  0.00    +0.227 C 
ATOM     30  O   LIG    1       -6.214  -2.357  -0.912  0.00  0.00    -0.275 OA
ATOM     31  N   LIG    1       -7.430  -0.803   0.189  0.00  0.00    -0.256 N 
ATOM     32  H   LIG    1       -8.201  -1.036  -0.422  0.00  0.00    +0.157 HD
ATOM     33  C   LIG    1       -7.760  -0.073   1.302  0.00  0.00    +0.219 C 
ATOM     34  O   LIG    1       -8.917   0.284   1.506  0.00  0.00    -0.275 OA
ATOM     35  C   LIG    1       -6.654   0.177   2.299  0.00  0.00    +0.097 C 
ATOM     36  C   LIG    1       -5.289   0.151   1.630  0.00  0.00    +0.027 C 
ENDBRANCH  24  28
ENDBRANCH  19  20
ENDBRANCH   2  19
TORSDOF 7