REMARK  Name = BDB002198
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.778  -1.124   1.036  0.00  0.00    -0.292 OA
ATOM      2  C   LIG    1        0.072  -0.305   0.683  0.00  0.00    +0.168 C 
ATOM      3  C   LIG    1       -0.290   1.059   0.189  0.00  0.00    +0.073 C 
ATOM      4  C   LIG    1       -1.568   1.477   0.182  0.00  0.00    +0.082 C 
ATOM      5  C   LIG    1        0.759   2.002  -0.301  0.00  0.00    +0.168 C 
ATOM      6  O   LIG    1        0.480   3.121  -0.730  0.00  0.00    -0.292 OA
ATOM      7  C   LIG    1        2.203   1.567  -0.197  0.00  0.00    +0.088 C 
ATOM      8  C   LIG    1        2.340   0.049  -0.319  0.00  0.00    +0.034 C 
ATOM      9  C   LIG    1        1.540  -0.644   0.785  0.00  0.00    +0.088 C 
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1        3.797  -0.381  -0.307  0.00  0.00    -0.042 A 
ATOM     11  C   LIG    1        4.340  -1.026  -1.429  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        5.677  -1.428  -1.437  0.00  0.00    +0.041 A 
ATOM     13 CL   LIG    1        6.323  -2.217  -2.822  0.00  0.00    -0.084 Cl
ATOM     14  C   LIG    1        6.492  -1.195  -0.332  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1        5.965  -0.555   0.788  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1        4.628  -0.150   0.802  0.00  0.00    +0.004 A 
ENDBRANCH   8  10
BRANCH   4  17
ATOM     17  N   LIG    1       -2.694   0.805   0.609  0.00  0.00    -0.346 N 
ATOM     18  H   LIG    1       -2.520  -0.178   0.855  0.00  0.00    +0.146 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -4.063   1.148   0.256  0.00  0.00    +0.070 C 
ATOM     20  C   LIG    1       -4.455   0.533  -1.084  0.00  0.00    +0.022 C 
ATOM     21  C   LIG    1       -4.787  -0.920  -0.760  0.00  0.00    +0.002 C 
ATOM     22  C   LIG    1       -5.232  -0.934   0.702  0.00  0.00    +0.002 C 
ATOM     23  C   LIG    1       -5.041   0.489   1.225  0.00  0.00    +0.022 C 
ENDBRANCH  17  19
ENDBRANCH   4  17
TORSDOF 3