REMARK  Name = BDB040425
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.100   1.532  -0.672  0.00  0.00    +0.139 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.287   0.961  -0.500  0.00  0.00    -0.028 A 
ATOM      3  C   LIG    1        0.926   1.090   0.738  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1        2.218   0.583   0.950  0.00  0.00    +0.047 A 
ATOM      5 CL   LIG    1        2.877   0.848   2.529  0.00  0.00    -0.083 Cl
ATOM      6  C   LIG    1        2.924  -0.079  -0.076  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        2.285  -0.165  -1.331  0.00  0.00    +0.047 A 
ATOM      8 CL   LIG    1        3.046  -0.876  -2.716  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1        0.994   0.345  -1.536  0.00  0.00    +0.025 A 
BRANCH   6  10
ATOM     10  C   LIG    1        4.318  -0.668   0.132  0.00  0.00    +0.108 C 
ATOM     11  C   LIG    1        4.409  -1.612   1.329  0.00  0.00    +0.227 C 
ATOM     12  O   LIG    1        3.500  -2.373   1.656  0.00  0.00    -0.275 OA
ATOM     13  N   LIG    1        5.610  -1.639   1.997  0.00  0.00    -0.256 N 
ATOM     14  H   LIG    1        5.663  -2.278   2.778  0.00  0.00    +0.157 HD
ATOM     15  C   LIG    1        6.798  -1.071   1.612  0.00  0.00    +0.219 C 
ATOM     16  O   LIG    1        7.842  -1.319   2.208  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1        6.763  -0.208   0.374  0.00  0.00    +0.097 C 
ATOM     18  C   LIG    1        5.393   0.424   0.181  0.00  0.00    +0.027 C 
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  20
ATOM     19  C   LIG    1       -2.778   0.026  -1.895  0.00  0.00    +0.223 C 
ATOM     20  N   LIG    1       -1.819   0.987  -1.803  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -1.618   1.399  -2.707  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1       -3.233  -0.169  -3.027  0.00  0.00    -0.275 OA
BRANCH  19  24
ATOM     23  C   LIG    1       -2.137  -1.556  -0.034  0.00  0.00    +0.025 C 
ATOM     24  C   LIG    1       -3.305  -0.764  -0.661  0.00  0.00    +0.066 C 
ATOM     25  C   LIG    1       -4.318  -1.828  -1.160  0.00  0.00    +0.025 C 
BRANCH  24  26
ATOM     26  C   LIG    1       -4.053   0.171   0.305  0.00  0.00    -0.024 A 
ATOM     27  C   LIG    1       -3.857   0.196   1.640  0.00  0.00    +0.075 A 
ATOM     28  C   LIG    1       -4.608   1.141   2.511  0.00  0.00    +0.251 A 
ATOM     29  O   LIG    1       -4.409   1.177   3.719  0.00  0.00    -0.268 OA
ATOM     30  N   LIG    1       -5.505   1.954   1.876  0.00  0.00    -0.299 N 
ATOM     31  H   LIG    1       -6.032   2.598   2.449  0.00  0.00    +0.171 HD
ATOM     32  C   LIG    1       -5.728   1.928   0.533  0.00  0.00    +0.195 A 
ATOM     33  F   LIG    1       -6.640   2.761  -0.003  0.00  0.00    -0.186 F 
ATOM     34  C   LIG    1       -5.049   1.085  -0.254  0.00  0.00    +0.062 A 
ENDBRANCH  24  26
ENDBRANCH  19  24
ENDBRANCH   1  20
TORSDOF 5