REMARK  Name = BDB045869
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.457  -0.864   0.261  0.00  0.00    +0.188 A 
ATOM      2  N   LIG    1        1.198  -2.189   0.558  0.00  0.00    -0.295 N 
ATOM      3  C   LIG    1       -0.106  -2.439   0.139  0.00  0.00    +0.088 A 
ATOM      4  C   LIG    1       -0.616  -3.759   0.306  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1        0.156  -4.701   0.880  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        1.506  -4.407   1.331  0.00  0.00    +0.018 A 
ATOM      7  C   LIG    1       -0.557  -1.244  -0.373  0.00  0.00    +0.148 A 
ATOM      8  C   LIG    1        1.996  -3.168   1.156  0.00  0.00    +0.093 A 
ATOM      9  N   LIG    1        0.417  -0.292  -0.323  0.00  0.00    -0.209 NA
ENDROOT
BRANCH   7  10
ATOM     10  N   LIG    1       -1.780  -0.957  -0.881  0.00  0.00    -0.311 N 
ATOM     11  C   LIG    1       -2.989  -1.341  -0.129  0.00  0.00    +0.138 C 
ATOM     12  C   LIG    1       -3.845  -0.108   0.263  0.00  0.00    +0.145 C 
ATOM     13  C   LIG    1       -2.996   1.160   0.426  0.00  0.00    +0.129 C 
ATOM     14  C   LIG    1       -2.188   1.470  -0.848  0.00  0.00    +0.036 C 
ATOM     15  C   LIG    1       -1.937   0.234  -1.713  0.00  0.00    +0.107 C 
BRANCH  12  16
ATOM     16  O   LIG    1       -4.843   0.129  -0.748  0.00  0.00    -0.389 OA
ATOM     17  H   LIG    1       -5.458   0.798  -0.400  0.00  0.00    +0.210 HD
ENDBRANCH  12  16
BRANCH  13  18
ATOM     18  C   LIG    1       -2.118   1.033   1.652  0.00  0.00    +0.310 C 
ATOM     19  O   LIG    1       -2.155   0.146   2.489  0.00  0.00    -0.251 OA
BRANCH  18  20
ATOM     20  O   LIG    1       -1.305   2.094   1.832  0.00  0.00    -0.480 OA
ATOM     21  H   LIG    1       -0.781   1.857   2.627  0.00  0.00    +0.295 HD
ENDBRANCH  18  20
ENDBRANCH  13  18
ENDBRANCH   7  10
BRANCH   1  23
ATOM     22  O   LIG    1        3.708  -0.597   1.016  0.00  0.00    -0.283 OA
ATOM     23  C   LIG    1        2.678  -0.138   0.528  0.00  0.00    +0.230 C 
BRANCH  23  24
ATOM     24  C   LIG    1        2.682   1.299   0.184  0.00  0.00    +0.055 A 
ATOM     25  C   LIG    1        3.005   1.725  -1.118  0.00  0.00    +0.067 A 
ATOM     26  C   LIG    1        2.982   3.105  -1.396  0.00  0.00    +0.013 A 
ATOM     27  C   LIG    1        2.659   4.032  -0.405  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        2.343   3.595   0.880  0.00  0.00    +0.021 A 
ATOM     29  C   LIG    1        2.351   2.231   1.179  0.00  0.00    +0.052 A 
ATOM     30 CL   LIG    1        1.924   1.759   2.787  0.00  0.00    -0.083 Cl
BRANCH  25  31
ATOM     31  C   LIG    1        3.313   0.760  -2.235  0.00  0.00    +0.418 C 
ATOM     32  F   LIG    1        4.223   1.269  -3.117  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1        2.213   0.465  -2.979  0.00  0.00    -0.166 F 
ATOM     34  F   LIG    1        3.830  -0.430  -1.834  0.00  0.00    -0.166 F 
ENDBRANCH  25  31
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 7