REMARK  Name = BDB006166
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.219   0.493  -0.518  0.00  0.00    +0.146 C 
ATOM      2  N   LIG    1       -1.965   1.263   0.509  0.00  0.00    -0.252 N 
ATOM      3  C   LIG    1       -1.132   1.700   1.576  0.00  0.00    +0.272 C 
ATOM      4  O   LIG    1       -1.434   2.262   2.615  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1        0.193   1.252   1.199  0.00  0.00    +0.154 A 
ATOM      6  N   LIG    1        1.416   1.425   1.677  0.00  0.00    -0.161 NA
ATOM      7  N   LIG    1        2.197   0.668   0.837  0.00  0.00    -0.233 N 
ATOM      8  C   LIG    1        1.479   0.272  -0.311  0.00  0.00    +0.054 A 
ATOM      9  C   LIG    1        0.165   0.542   0.011  0.00  0.00    +0.031 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1       -1.853  -1.573   1.786  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -1.838  -1.915   0.319  0.00  0.00    -0.044 A 
ATOM     12  C   LIG    1       -1.552  -0.981  -0.707  0.00  0.00    -0.019 A 
ATOM     13  C   LIG    1       -1.566  -1.440  -2.048  0.00  0.00    +0.007 A 
ATOM     14  C   LIG    1       -1.853  -2.767  -2.370  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -2.132  -3.670  -1.356  0.00  0.00    +0.041 A 
ATOM     16 CL   LIG    1       -2.488  -5.307  -1.742  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1       -2.126  -3.253  -0.028  0.00  0.00    +0.023 A 
ENDBRANCH   1  12
BRANCH   2  18
ATOM     18  C   LIG    1       -3.301   1.721   0.292  0.00  0.00    +0.074 A 
ATOM     19  C   LIG    1       -3.766   2.949   0.797  0.00  0.00    +0.163 A 
ATOM     20  F   LIG    1       -2.919   3.805   1.389  0.00  0.00    -0.202 F 
ATOM     21  C   LIG    1       -5.084   3.368   0.589  0.00  0.00    +0.078 A 
ATOM     22 CL   LIG    1       -5.632   4.884   1.199  0.00  0.00    -0.081 Cl
ATOM     23  C   LIG    1       -5.967   2.577  -0.141  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1       -5.521   1.374  -0.677  0.00  0.00    +0.003 A 
ATOM     25  C   LIG    1       -4.200   0.956  -0.470  0.00  0.00    +0.026 A 
ENDBRANCH   2  18
BRANCH   7  26
ATOM     26  C   LIG    1        3.541   0.446   1.216  0.00  0.00    +0.101 A 
ATOM     27  C   LIG    1        4.155  -0.785   1.022  0.00  0.00    +0.149 A 
ATOM     28  F   LIG    1        3.468  -1.839   0.568  0.00  0.00    -0.203 F 
ATOM     29  C   LIG    1        5.479  -0.989   1.410  0.00  0.00    +0.040 A 
ATOM     30  C   LIG    1        6.191   0.040   2.024  0.00  0.00    +0.003 A 
ATOM     31  C   LIG    1        5.568   1.263   2.272  0.00  0.00    +0.002 A 
ATOM     32  C   LIG    1        4.241   1.463   1.884  0.00  0.00    +0.031 A 
ENDBRANCH   7  26
BRANCH   8  33
ATOM     33  C   LIG    1        2.012  -0.160  -1.656  0.00  0.00    +0.032 C 
ATOM     34  C   LIG    1        2.132  -1.669  -1.838  0.00  0.00    +0.014 C 
ATOM     35  C   LIG    1        3.272   0.578  -2.102  0.00  0.00    +0.014 C 
ENDBRANCH   8  33
TORSDOF 4