REMARK  Name = BDB051605
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.038   0.611   0.326  0.00  0.00    -0.239 N 
ATOM      2  N   LIG    1        1.977  -0.369   0.164  0.00  0.00    -0.166 NA
ATOM      3  C   LIG    1        3.172   0.252   0.159  0.00  0.00    +0.105 A 
ATOM      4  C   LIG    1        2.958   1.664   0.325  0.00  0.00    +0.022 A 
ATOM      5  C   LIG    1        3.918   2.668   0.375  0.00  0.00    +0.031 A 
ATOM      6  C   LIG    1        5.215   2.135   0.240  0.00  0.00    +0.042 A 
ATOM      7  C   LIG    1        5.497   0.747   0.073  0.00  0.00    +0.035 A 
ATOM      8 CL   LIG    1        6.547   3.237   0.279  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1        4.487  -0.247   0.026  0.00  0.00    +0.065 A 
ATOM     10  C   LIG    1        1.611   1.861   0.427  0.00  0.00    +0.123 A 
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1       -3.079  -0.419   0.463  0.00  0.00    -0.033 A 
ATOM     12  C   LIG    1       -2.678   0.919   0.584  0.00  0.00    +0.007 A 
ATOM     13  C   LIG    1       -1.324   1.271   0.541  0.00  0.00    +0.028 A 
ATOM     14  C   LIG    1       -0.347   0.282   0.374  0.00  0.00    +0.065 A 
ATOM     15  C   LIG    1       -0.744  -1.058   0.250  0.00  0.00    +0.028 A 
ATOM     16  C   LIG    1       -2.099  -1.403   0.293  0.00  0.00    +0.007 A 
BRANCH  11  17
ATOM     17  C   LIG    1       -4.545  -0.783   0.509  0.00  0.00    +0.116 C 
BRANCH  17  19
ATOM     18  C   LIG    1       -6.653  -0.638  -0.640  0.00  0.00    +0.101 C 
ATOM     19  N   LIG    1       -5.250  -0.249  -0.655  0.00  0.00    -0.315 NA
ATOM     20  H   LIG    1       -4.806  -0.608  -1.499  0.00  0.00    +0.122 HD
ENDBRANCH  17  19
ENDBRANCH  11  17
ENDBRANCH   1  14
BRANCH   9  21
ATOM     21  C   LIG    1        4.826  -1.669  -0.148  0.00  0.00    +0.244 C 
ATOM     22  O   LIG    1        5.990  -2.032  -0.257  0.00  0.00    -0.270 OA
ATOM     23  N   LIG    1        3.795  -2.560  -0.183  0.00  0.00    -0.325 N 
ATOM     24  H   LIG    1        2.829  -2.255  -0.092  0.00  0.00    +0.145 HD
ATOM     25  H   LIG    1        4.000  -3.542  -0.301  0.00  0.00    +0.145 HD
ENDBRANCH   9  21
TORSDOF 4