REMARK  Name = BDB006840
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.109   0.604  -1.004  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1       -1.412   0.367  -0.590  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1       -2.042   0.434   0.666  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1       -3.375  -0.012   0.563  0.00  0.00    -0.001 A 
ATOM      5  C   LIG    1       -4.186  -0.049   1.697  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -3.674   0.393   2.919  0.00  0.00    +0.020 A 
ATOM      7  C   LIG    1       -2.364   0.868   3.007  0.00  0.00    +0.003 A 
ATOM      8 CL   LIG    1       -5.802  -0.640   1.679  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1       -3.688  -0.434  -0.862  0.00  0.00    +0.009 C 
ATOM     10  C   LIG    1       -3.777  -1.963  -0.976  0.00  0.00    +0.017 C 
ATOM     11  C   LIG    1       -4.932   0.228  -1.465  0.00  0.00    +0.017 C 
ATOM     12  C   LIG    1       -1.543   0.892   1.878  0.00  0.00    +0.024 A 
ATOM     13  C   LIG    1       -2.431   0.079  -1.602  0.00  0.00    +0.124 C 
ATOM     14  O   LIG    1        0.141   0.705  -2.212  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1  15
ATOM     15  C   LIG    1        0.996   0.693   0.059  0.00  0.00    +0.181 C 
BRANCH  15  22
ATOM     16  C   LIG    1        5.850   0.856   1.075  0.00  0.00    +0.025 C 
ATOM     17  C   LIG    1        4.824   0.539  -0.013  0.00  0.00    +0.065 C 
ATOM     18  N   LIG    1        5.005  -0.864  -0.442  0.00  0.00    -0.311 NA
ATOM     19  H   LIG    1        4.859  -1.471   0.364  0.00  0.00    +0.122 HD
ATOM     20  C   LIG    1        3.978  -1.184  -1.450  0.00  0.00    +0.096 C 
ATOM     21  C   LIG    1        2.539  -0.923  -0.950  0.00  0.00    +0.100 C 
ATOM     22  N   LIG    1        2.353   0.468  -0.493  0.00  0.00    -0.291 NA
ATOM     23  C   LIG    1        3.385   0.815   0.503  0.00  0.00    +0.103 C 
ENDBRANCH  15  22
ENDBRANCH   1  15
TORSDOF 2