REMARK  Name = BDB042775
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.102  -2.409   0.000  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1       -4.020  -1.845  -0.109  0.00  0.00    +0.273 A 
ATOM      3  C   LIG    1       -2.793  -2.447   0.430  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1       -1.595  -1.749   0.302  0.00  0.00    +0.032 A 
ATOM      5  C   LIG    1       -0.398  -2.260   0.811  0.00  0.00    +0.040 A 
ATOM      6  N   LIG    1        0.826  -1.600   0.642  0.00  0.00    -0.339 N 
ATOM      7  H   LIG    1        1.522  -1.919   1.315  0.00  0.00    +0.146 HD
ATOM      8  C   LIG    1        0.742  -0.133   0.506  0.00  0.00    +0.089 C 
ATOM      9  C   LIG    1       -0.266   0.248  -0.619  0.00  0.00    +0.092 C 
ATOM     10  C   LIG    1       -0.423  -3.536   1.386  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1       -1.626  -4.231   1.512  0.00  0.00    +0.126 A 
ATOM     12  F   LIG    1       -1.626  -5.441   2.087  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -1.611  -0.462  -0.409  0.00  0.00    +0.080 A 
ATOM     14  N   LIG    1       -2.702   0.047  -0.904  0.00  0.00    -0.175 NA
ATOM     15  C   LIG    1       -2.818  -3.696   1.048  0.00  0.00    +0.052 A 
ATOM     16  N   LIG    1       -3.871  -0.629  -0.730  0.00  0.00    -0.242 N 
ATOM     17  H   LIG    1       -4.702  -0.202  -1.129  0.00  0.00    +0.192 HD
ENDROOT
BRANCH   9  18
ATOM     18  C   LIG    1       -0.449   1.764  -0.743  0.00  0.00    -0.018 A 
ATOM     19  C   LIG    1       -0.160   2.473  -1.924  0.00  0.00    +0.045 A 
ATOM     20 CL   LIG    1        0.429   1.701  -3.353  0.00  0.00    -0.083 Cl
ATOM     21  C   LIG    1       -0.333   3.861  -1.984  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1       -0.804   4.563  -0.877  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -1.110   3.879   0.294  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -0.938   2.495   0.360  0.00  0.00    +0.006 A 
ENDBRANCH   9  18
BRANCH   8  25
ATOM     25  C   LIG    1        2.149   0.451   0.250  0.00  0.00    +0.038 C 
ATOM     26  C   LIG    1        3.114   0.331   1.421  0.00  0.00    +0.165 C 
ATOM     27  O   LIG    1        4.436   0.457   0.875  0.00  0.00    -0.379 OA
ATOM     28  C   LIG    1        4.354   0.332  -0.553  0.00  0.00    +0.160 C 
ATOM     29  C   LIG    1        2.961  -0.170  -0.871  0.00  0.00    +0.035 C 
ENDBRANCH   8  25
TORSDOF 2