REMARK  Name = BDB006599
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.199  -0.575  -0.401  0.00  0.00    -0.253 N 
ATOM      2  C   LIG    1        0.356  -0.228   0.790  0.00  0.00    +0.146 C 
ATOM      3  C   LIG    1       -0.900  -0.946   0.492  0.00  0.00    +0.039 A 
ATOM      4  C   LIG    1       -0.818  -1.584  -0.736  0.00  0.00    +0.153 A 
ATOM      5  N   LIG    1       -1.925  -2.245  -1.057  0.00  0.00    -0.165 NA
ATOM      6  N   LIG    1       -2.732  -2.001   0.005  0.00  0.00    -0.256 N 
ATOM      7  C   LIG    1       -2.141  -1.255   0.996  0.00  0.00    +0.148 A 
ATOM      8  C   LIG    1        0.478  -1.375  -1.345  0.00  0.00    +0.272 C 
ATOM      9  O   LIG    1        0.839  -1.817  -2.423  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  17
ATOM     10  C   LIG    1        5.300  -0.352  -2.996  0.00  0.00    +0.152 C 
ATOM     11  N   LIG    1        4.601  -0.028  -1.759  0.00  0.00    -0.315 N 
ATOM     12  C   LIG    1        5.276   0.677  -0.761  0.00  0.00    +0.270 A 
ATOM     13  O   LIG    1        6.442   1.050  -0.854  0.00  0.00    -0.266 OA
ATOM     14  C   LIG    1        4.465   0.954   0.464  0.00  0.00    +0.107 A 
ATOM     15 CL   LIG    1        5.210   1.804   1.765  0.00  0.00    -0.078 Cl
ATOM     16  C   LIG    1        3.191   0.542   0.548  0.00  0.00    +0.050 A 
ATOM     17  C   LIG    1        2.535  -0.179  -0.535  0.00  0.00    +0.055 A 
ATOM     18  C   LIG    1        3.279  -0.430  -1.631  0.00  0.00    +0.112 A 
ENDBRANCH   1  17
BRANCH   2  19
ATOM     19  C   LIG    1       -0.033   1.236   0.893  0.00  0.00    -0.022 A 
ATOM     20  C   LIG    1       -0.165   1.825   2.164  0.00  0.00    +0.007 A 
ATOM     21  C   LIG    1       -0.526   3.168   2.299  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1       -0.761   3.940   1.165  0.00  0.00    +0.041 A 
ATOM     23 CL   LIG    1       -1.206   5.593   1.332  0.00  0.00    -0.084 Cl
ATOM     24  C   LIG    1       -0.638   3.380  -0.103  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1       -0.278   2.036  -0.240  0.00  0.00    +0.007 A 
ENDBRANCH   2  19
BRANCH   7  26
ATOM     26  C   LIG    1       -2.818  -0.933   2.252  0.00  0.00    +0.434 C 
ATOM     27  F   LIG    1       -3.460  -2.000   2.785  0.00  0.00    -0.164 F 
ATOM     28  F   LIG    1       -3.728   0.057   2.103  0.00  0.00    -0.164 F 
ATOM     29  F   LIG    1       -1.929  -0.514   3.191  0.00  0.00    -0.164 F 
ENDBRANCH   7  26
BRANCH   6  30
ATOM     30  C   LIG    1       -4.108  -2.545   0.051  0.00  0.00    +0.108 C 
ATOM     31  C   LIG    1       -5.329  -1.655   0.029  0.00  0.00    +0.029 C 
ATOM     32  C   LIG    1       -5.018  -2.521  -1.155  0.00  0.00    +0.029 C 
ENDBRANCH   6  30
TORSDOF 4