REMARK  Name = BDB026772
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.608   1.435   2.500  0.00  0.00    -0.272 OA
ATOM      2  C   LIG    1        0.474   0.670   1.542  0.00  0.00    +0.250 C 
ATOM      3  N   LIG    1       -0.594  -0.222   1.341  0.00  0.00    -0.256 N 
ATOM      4  C   LIG    1       -0.691  -0.871   0.014  0.00  0.00    +0.145 C 
ATOM      5  C   LIG    1       -0.041  -0.023  -1.134  0.00  0.00    +0.174 C 
ATOM      6  O   LIG    1        1.321   0.310  -0.863  0.00  0.00    -0.357 OA
ATOM      7  C   LIG    1        1.615   0.587   0.497  0.00  0.00    +0.209 C 
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1       -2.091  -1.315  -0.416  0.00  0.00    -0.024 A 
ATOM      9  C   LIG    1       -3.220  -0.500  -0.224  0.00  0.00    +0.007 A 
ATOM     10  C   LIG    1       -4.482  -0.914  -0.658  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -4.626  -2.143  -1.293  0.00  0.00    +0.041 A 
ATOM     12 CL   LIG    1       -6.178  -2.651  -1.833  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1       -3.519  -2.963  -1.500  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -2.256  -2.551  -1.067  0.00  0.00    +0.007 A 
ENDBRANCH   4   8
BRANCH   5  15
ATOM     15  C   LIG    1       -0.798   1.202  -1.644  0.00  0.00    -0.017 A 
ATOM     16  C   LIG    1       -1.575   1.082  -2.814  0.00  0.00    +0.007 A 
ATOM     17  C   LIG    1       -2.307   2.164  -3.312  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1       -2.268   3.385  -2.650  0.00  0.00    +0.041 A 
ATOM     19 CL   LIG    1       -3.170   4.718  -3.257  0.00  0.00    -0.084 Cl
ATOM     20  C   LIG    1       -1.501   3.532  -1.499  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1       -0.770   2.449  -1.000  0.00  0.00    +0.007 A 
ENDBRANCH   5  15
BRANCH   3  22
ATOM     22  C   LIG    1       -1.308  -0.679   2.476  0.00  0.00    +0.074 A 
ATOM     23  C   LIG    1       -1.369  -0.099   3.726  0.00  0.00    +0.128 A 
ATOM     24  N   LIG    1       -2.161  -0.890   4.505  0.00  0.00    -0.283 N 
ATOM     25  H   LIG    1       -2.423  -0.754   5.476  0.00  0.00    +0.188 HD
ATOM     26  N   LIG    1       -2.618  -1.973   3.864  0.00  0.00    -0.180 NA
ATOM     27  C   LIG    1       -2.107  -1.844   2.637  0.00  0.00    +0.157 A 
ENDBRANCH   3  22
BRANCH   7  28
ATOM     28  C   LIG    1        2.627  -0.460   1.006  0.00  0.00    +0.076 C 
BRANCH  28  29
ATOM     29  C   LIG    1        4.038  -0.180   0.538  0.00  0.00    -0.044 A 
ATOM     30  C   LIG    1        4.455  -0.569  -0.744  0.00  0.00    +0.006 A 
ATOM     31  C   LIG    1        5.754  -0.297  -1.175  0.00  0.00    +0.038 A 
ATOM     32  C   LIG    1        6.633   0.367  -0.329  0.00  0.00    +0.123 A 
ATOM     33  F   LIG    1        7.879   0.628  -0.745  0.00  0.00    -0.205 F 
ATOM     34  C   LIG    1        6.237   0.767   0.942  0.00  0.00    +0.038 A 
ATOM     35  C   LIG    1        4.939   0.496   1.376  0.00  0.00    +0.006 A 
ENDBRANCH  28  29
ENDBRANCH   7  28
TORSDOF 5