REMARK  Name = BDB001756
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.863  -2.792  -0.510  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1       -1.147  -1.820  -0.322  0.00  0.00    +0.271 C 
ATOM      3  N   LIG    1       -1.455  -0.565   0.127  0.00  0.00    -0.201 N 
ATOM      4  C   LIG    1       -0.303   0.178   0.180  0.00  0.00    +0.273 C 
ATOM      5  O   LIG    1       -0.142   1.325   0.576  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        0.848  -0.663  -0.313  0.00  0.00    +0.117 C 
ATOM      7  C   LIG    1        0.299  -1.849  -0.587  0.00  0.00    +0.129 C 
ATOM      8 CL   LIG    1        1.041  -3.239  -1.229  0.00  0.00    -0.076 Cl
ENDROOT
BRANCH   3   9
ATOM      9  C   LIG    1       -2.763  -0.111   0.500  0.00  0.00    +0.045 A 
ATOM     10  C   LIG    1       -3.872  -0.975   0.506  0.00  0.00    +0.024 A 
ATOM     11  C   LIG    1       -5.152  -0.533   0.868  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -5.359   0.789   1.235  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -4.285   1.668   1.238  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1       -3.006   1.222   0.875  0.00  0.00    +0.024 A 
ENDBRANCH   3   9
BRANCH   6  15
ATOM     15  N   LIG    1        2.160  -0.185  -0.406  0.00  0.00    -0.320 N 
ATOM     16  C   LIG    1        3.349  -1.064  -0.421  0.00  0.00    +0.133 C 
ATOM     17  C   LIG    1        4.568  -0.349   0.184  0.00  0.00    +0.178 C 
ATOM     18  O   LIG    1        4.940   0.845  -0.514  0.00  0.00    -0.377 OA
ATOM     19  C   LIG    1        3.827   1.512  -1.123  0.00  0.00    +0.178 C 
ATOM     20  C   LIG    1        2.485   1.261  -0.416  0.00  0.00    +0.133 C 
ENDBRANCH   6  15
TORSDOF 2