REMARK  Name = BDB055882
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.653   0.376   3.088  0.00  0.00    -0.273 OA
ATOM      2  C   LIG    1        1.718  -0.002   2.382  0.00  0.00    +0.242 C 
ATOM      3  N   LIG    1        1.587   0.356   1.047  0.00  0.00    -0.289 N 
ATOM      4  C   LIG    1        0.426  -0.071   0.245  0.00  0.00    +0.139 C 
ATOM      5  C   LIG    1       -0.194  -1.389   0.803  0.00  0.00    +0.174 C 
ATOM      6  O   LIG    1       -0.519  -1.222   2.190  0.00  0.00    -0.361 OA
ATOM      7  C   LIG    1        0.657  -0.970   2.944  0.00  0.00    +0.256 C 
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1       -0.576   1.071   0.077  0.00  0.00    -0.024 A 
ATOM      9  C   LIG    1       -1.014   1.426  -1.212  0.00  0.00    +0.007 A 
ATOM     10  C   LIG    1       -1.941   2.454  -1.395  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -2.440   3.140  -0.291  0.00  0.00    +0.041 A 
ATOM     12 CL   LIG    1       -3.582   4.407  -0.517  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1       -2.020   2.806   0.993  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -1.093   1.777   1.176  0.00  0.00    +0.007 A 
ENDBRANCH   4   8
BRANCH   5  15
ATOM     15  C   LIG    1       -1.399  -1.881   0.022  0.00  0.00    -0.015 A 
ATOM     16  C   LIG    1       -2.711  -1.596   0.435  0.00  0.00    +0.026 A 
ATOM     17  C   LIG    1       -3.800  -2.030  -0.320  0.00  0.00    +0.041 A 
ATOM     18 CL   LIG    1       -5.400  -1.664   0.197  0.00  0.00    -0.084 Cl
ATOM     19  C   LIG    1       -3.602  -2.753  -1.494  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1       -2.306  -3.046  -1.916  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -1.212  -2.611  -1.165  0.00  0.00    +0.006 A 
ENDBRANCH   5  15
BRANCH   3  22
ATOM     22  C   LIG    1        2.580   1.228   0.432  0.00  0.00    +0.112 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.610   0.405  -0.282  0.00  0.00    +0.006 C 
ATOM     24  C   LIG    1        4.503   1.052  -1.310  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1        3.465   0.054  -1.742  0.00  0.00    +0.005 C 
ENDBRANCH  22  23
ENDBRANCH   3  22
TORSDOF 4