REMARK  Name = BDB016554
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.458   0.168  -1.009  0.00  0.00    -0.338 N 
ATOM      2  H   LIG    1       -0.044  -0.731  -1.053  0.00  0.00    +0.146 HD
ENDROOT
BRANCH   1   7
ATOM      3  C   LIG    1       -2.950  -2.061   0.031  0.00  0.00    +0.105 C 
ATOM      4  N   LIG    1       -2.124  -0.858  -0.049  0.00  0.00    -0.299 NA
ATOM      5  C   LIG    1       -2.788   0.252  -0.761  0.00  0.00    +0.058 C 
ATOM      6  C   LIG    1       -1.705   1.280  -1.160  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1       -0.405   1.156  -0.337  0.00  0.00    +0.073 C 
ATOM      8  C   LIG    1       -0.659   0.714   1.120  0.00  0.00    +0.041 C 
ATOM      9  C   LIG    1       -3.759   0.844   0.267  0.00  0.00    +0.020 C 
ATOM     10  C   LIG    1       -3.140   0.505   1.617  0.00  0.00    +0.020 C 
ATOM     11  C   LIG    1       -1.855  -0.255   1.270  0.00  0.00    +0.058 C 
ENDBRANCH   1   7
BRANCH   1  12
ATOM     12  C   LIG    1        1.818  -0.029  -0.772  0.00  0.00    +0.071 A 
ATOM     13  C   LIG    1        2.460  -1.206  -0.737  0.00  0.00    +0.129 A 
ATOM     14 CL   LIG    1        1.597  -2.692  -0.973  0.00  0.00    -0.076 Cl
ATOM     15  C   LIG    1        3.922  -1.311  -0.463  0.00  0.00    +0.287 A 
ATOM     16  O   LIG    1        4.495  -2.400  -0.459  0.00  0.00    -0.265 OA
ATOM     17  N   LIG    1        4.572  -0.107  -0.203  0.00  0.00    -0.231 N 
ATOM     18  C   LIG    1        6.002  -0.096   0.046  0.00  0.00    +0.176 C 
ATOM     19  N   LIG    1        3.974   1.123  -0.306  0.00  0.00    -0.175 NA
ATOM     20  C   LIG    1        2.709   1.141  -0.575  0.00  0.00    +0.157 A 
ENDBRANCH   1  12
TORSDOF 2