REMARK  Name = BDB014281
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.016   0.133   0.747  0.00  0.00    +0.086 A 
ATOM      2  C   LIG    1       -1.915   0.501  -0.030  0.00  0.00    +0.079 A 
ATOM      3  C   LIG    1       -1.848   1.757  -0.620  0.00  0.00    +0.090 A 
ATOM      4  C   LIG    1       -0.626   1.835  -1.329  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1        0.038   0.633  -1.161  0.00  0.00    +0.023 A 
ATOM      6  N   LIG    1       -2.821   2.690  -0.493  0.00  0.00    -0.253 NA
ATOM      7  C   LIG    1       -3.877   2.315   0.259  0.00  0.00    +0.112 A 
ATOM      8  N   LIG    1       -0.763  -0.165  -0.376  0.00  0.00    -0.356 N 
ATOM      9  H   LIG    1       -0.547  -1.105  -0.065  0.00  0.00    +0.166 HD
ATOM     10  C   LIG    1       -4.025   1.088   0.885  0.00  0.00    +0.037 A 
ENDROOT
BRANCH   1  12
ATOM     11  O   LIG    1       -4.100  -1.527   2.090  0.00  0.00    -0.245 OA
ATOM     12  C   LIG    1       -3.156  -1.177   1.407  0.00  0.00    +0.339 C 
BRANCH  12  13
ATOM     13  O   LIG    1       -2.110  -1.998   1.188  0.00  0.00    -0.477 OA
ATOM     14  H   LIG    1       -2.354  -2.805   1.692  0.00  0.00    +0.295 HD
ENDBRANCH  12  13
ENDBRANCH   1  12
BRANCH   5  15
ATOM     15  C   LIG    1        1.359   0.170  -1.685  0.00  0.00    +0.088 C 
BRANCH  15  16
ATOM     16  C   LIG    1        2.298  -0.290  -0.592  0.00  0.00    -0.040 A 
ATOM     17  C   LIG    1        2.604  -1.653  -0.440  0.00  0.00    +0.027 A 
ATOM     18  C   LIG    1        3.459  -2.071   0.582  0.00  0.00    +0.076 A 
ATOM     19 CL   LIG    1        3.813  -3.748   0.752  0.00  0.00    -0.081 Cl
ATOM     20  C   LIG    1        4.012  -1.136   1.453  0.00  0.00    +0.142 A 
ATOM     21  F   LIG    1        4.833  -1.520   2.441  0.00  0.00    -0.204 F 
ATOM     22  C   LIG    1        3.719   0.217   1.316  0.00  0.00    +0.040 A 
ATOM     23  C   LIG    1        2.863   0.640   0.297  0.00  0.00    +0.007 A 
ENDBRANCH  15  16
ENDBRANCH   5  15
TORSDOF 4