REMARK  Name = BDB006198
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.234   0.348  -0.192  0.00  0.00    -0.232 N 
ATOM      2  C   LIG    1       -1.187  -0.583  -0.396  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1       -0.032   0.179  -0.377  0.00  0.00    +0.031 A 
ATOM      4  C   LIG    1        1.454   0.155  -0.516  0.00  0.00    +0.146 C 
ATOM      5  N   LIG    1        1.791   1.614  -0.414  0.00  0.00    -0.253 N 
ATOM      6  C   LIG    1        0.653   2.418  -0.157  0.00  0.00    +0.272 C 
ATOM      7  O   LIG    1        0.570   3.625   0.000  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1       -0.450   1.485  -0.153  0.00  0.00    +0.154 A 
ATOM      9  N   LIG    1       -1.755   1.612   0.014  0.00  0.00    -0.161 NA
ENDROOT
BRANCH   4  10
ATOM     10  C   LIG    1        2.018  -0.665   0.640  0.00  0.00    -0.019 A 
ATOM     11  C   LIG    1        2.778  -1.846   0.439  0.00  0.00    -0.044 A 
ATOM     12  C   LIG    1        3.109  -2.422  -0.913  0.00  0.00    +0.044 C 
ATOM     13  C   LIG    1        3.314  -2.524   1.554  0.00  0.00    +0.023 A 
ATOM     14  C   LIG    1        3.089  -2.070   2.851  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1        3.745  -2.930   4.187  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1        2.339  -0.925   3.065  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        1.816  -0.229   1.974  0.00  0.00    +0.007 A 
ENDBRANCH   4  10
BRANCH   5  18
ATOM     18  C   LIG    1        3.119   2.112  -0.586  0.00  0.00    +0.057 A 
ATOM     19  C   LIG    1        3.465   3.442  -0.314  0.00  0.00    +0.046 A 
ATOM     20  C   LIG    1        4.775   3.884  -0.498  0.00  0.00    +0.061 A 
ATOM     21 CL   LIG    1        5.206   5.512  -0.157  0.00  0.00    -0.082 Cl
ATOM     22  C   LIG    1        5.723   2.987  -0.957  0.00  0.00    +0.130 A 
ATOM     23  N   LIG    1        5.444   1.697  -1.239  0.00  0.00    -0.260 NA
ATOM     24  C   LIG    1        4.160   1.300  -1.044  0.00  0.00    +0.134 A 
ENDBRANCH   5  18
BRANCH   1  26
ATOM     25  C   LIG    1       -4.526   0.790   0.568  0.00  0.00    +0.145 A 
ATOM     26  C   LIG    1       -3.638   0.165  -0.319  0.00  0.00    +0.107 A 
ATOM     27  C   LIG    1       -4.149  -0.581  -1.392  0.00  0.00    +0.031 A 
ATOM     28  C   LIG    1       -5.529  -0.730  -1.553  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1       -6.406  -0.135  -0.648  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -5.906   0.618   0.414  0.00  0.00    +0.048 A 
BRANCH  25  32
ATOM     31  C   LIG    1       -4.307   2.851   1.578  0.00  0.00    +0.277 C 
ATOM     32  O   LIG    1       -4.069   1.446   1.681  0.00  0.00    -0.493 OA
ENDBRANCH  25  32
ENDBRANCH   1  26
BRANCH   2  33
ATOM     33  C   LIG    1       -1.416  -2.069  -0.515  0.00  0.00    +0.032 C 
ATOM     34  C   LIG    1       -0.832  -2.839   0.668  0.00  0.00    +0.014 C 
ATOM     35  C   LIG    1       -0.890  -2.611  -1.843  0.00  0.00    +0.014 C 
ENDBRANCH   2  33
TORSDOF 5