REMARK  Name = BDB053124
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.444   2.300  -1.868  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -1.385   1.926  -1.402  0.00  0.00    +0.250 C 
ATOM      3  N   LIG    1       -0.954   0.631  -1.161  0.00  0.00    -0.256 N 
ATOM      4  C   LIG    1        0.448   0.584  -0.776  0.00  0.00    +0.189 C 
ATOM      5  C   LIG    1        0.816   2.047  -0.703  0.00  0.00    +0.019 A 
ATOM      6  C   LIG    1        2.018   2.655  -0.372  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1        2.083   4.053  -0.396  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1        0.962   4.823  -0.756  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -0.242   4.206  -1.097  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -0.283   2.825  -1.057  0.00  0.00    +0.045 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1        0.723  -0.137   0.538  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1        1.827  -1.000   0.679  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1        2.081  -1.654   1.887  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1        1.238  -1.448   2.976  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1        1.544  -2.265   4.459  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1        0.151  -0.587   2.871  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1       -0.102   0.067   1.662  0.00  0.00    +0.010 A 
ENDBRANCH   4  11
BRANCH   4  18
ATOM     18  O   LIG    1        1.151  -0.008  -1.861  0.00  0.00    -0.364 OA
ATOM     19  H   LIG    1        1.186   0.667  -2.557  0.00  0.00    +0.213 HD
ENDBRANCH   4  18
BRANCH   3  20
ATOM     20  C   LIG    1       -1.682  -0.510  -1.702  0.00  0.00    +0.166 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -1.667  -1.756  -0.849  0.00  0.00    +0.059 A 
ATOM     22  N   LIG    1       -2.537  -1.810   0.192  0.00  0.00    -0.258 NA
ATOM     23  C   LIG    1       -2.503  -2.910   0.975  0.00  0.00    +0.111 A 
ATOM     24  C   LIG    1       -1.643  -3.975   0.773  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1       -0.762  -3.911  -0.299  0.00  0.00    +0.003 A 
ATOM     26  C   LIG    1       -0.772  -2.790  -1.124  0.00  0.00    +0.025 A 
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 4