REMARK  Name = BDB026728
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.448  -2.442  -0.241  0.00  0.00    +0.133 C 
ATOM      2  N   LIG    1        1.004  -2.252  -0.311  0.00  0.00    -0.293 N 
ATOM      3  C   LIG    1        0.448  -0.959   0.159  0.00  0.00    +0.139 C 
ATOM      4  C   LIG    1       -1.103  -0.863  -0.009  0.00  0.00    +0.174 C 
ATOM      5  O   LIG    1       -1.720  -2.030   0.553  0.00  0.00    -0.361 OA
ATOM      6  C   LIG    1       -1.293  -3.193  -0.134  0.00  0.00    +0.256 C 
ATOM      7  C   LIG    1        0.221  -3.408  -0.240  0.00  0.00    +0.242 C 
ATOM      8  O   LIG    1        0.688  -4.543  -0.326  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   3   9
ATOM      9  C   LIG    1        1.131   0.228  -0.517  0.00  0.00    -0.024 A 
ATOM     10  C   LIG    1        1.177   0.339  -1.918  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1        1.780   1.443  -2.524  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1        2.339   2.446  -1.736  0.00  0.00    +0.041 A 
ATOM     13 CL   LIG    1        3.080   3.807  -2.483  0.00  0.00    -0.084 Cl
ATOM     14  C   LIG    1        2.302   2.353  -0.347  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1        1.702   1.249   0.261  0.00  0.00    +0.007 A 
ENDBRANCH   3   9
BRANCH   4  16
ATOM     16  C   LIG    1       -1.699   0.346   0.695  0.00  0.00    -0.015 A 
ATOM     17  C   LIG    1       -2.045   1.490  -0.042  0.00  0.00    +0.026 A 
ATOM     18  C   LIG    1       -2.558   2.616   0.603  0.00  0.00    +0.041 A 
ATOM     19 CL   LIG    1       -2.967   4.012  -0.316  0.00  0.00    -0.084 Cl
ATOM     20  C   LIG    1       -2.736   2.621   1.984  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1       -2.399   1.491   2.727  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -1.883   0.362   2.088  0.00  0.00    +0.006 A 
ENDBRANCH   4  16
TORSDOF 2