REMARK  Name = BDB026773
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.786   0.120   2.915  0.00  0.00    -0.272 OA
ATOM      2  C   LIG    1        0.625   0.386   1.721  0.00  0.00    +0.250 C 
ATOM      3  N   LIG    1       -0.264  -0.306   0.874  0.00  0.00    -0.259 N 
ATOM      4  C   LIG    1       -0.181   0.001  -0.575  0.00  0.00    +0.145 C 
ATOM      5  C   LIG    1       -0.034   1.535  -0.828  0.00  0.00    +0.174 C 
ATOM      6  O   LIG    1        1.230   1.946  -0.277  0.00  0.00    -0.357 OA
ATOM      7  C   LIG    1        1.354   1.619   1.104  0.00  0.00    +0.209 C 
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1       -1.103  -0.732  -1.551  0.00  0.00    -0.024 A 
ATOM      9  C   LIG    1       -2.277  -0.173  -2.080  0.00  0.00    +0.007 A 
ATOM     10  C   LIG    1       -3.077  -0.896  -2.973  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -2.714  -2.184  -3.352  0.00  0.00    +0.041 A 
ATOM     12 CL   LIG    1       -3.704  -3.067  -4.446  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1       -1.553  -2.759  -2.848  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -0.753  -2.038  -1.958  0.00  0.00    +0.007 A 
ENDBRANCH   4   8
BRANCH   5  15
ATOM     15  C   LIG    1       -1.093   2.542  -0.398  0.00  0.00    -0.017 A 
ATOM     16  C   LIG    1       -1.025   3.840  -0.945  0.00  0.00    +0.007 A 
ATOM     17  C   LIG    1       -1.951   4.825  -0.594  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1       -2.958   4.530   0.318  0.00  0.00    +0.041 A 
ATOM     19 CL   LIG    1       -4.101   5.737   0.754  0.00  0.00    -0.084 Cl
ATOM     20  C   LIG    1       -3.041   3.260   0.880  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1       -2.113   2.273   0.527  0.00  0.00    +0.007 A 
ENDBRANCH   5  15
BRANCH   3  22
ATOM     22  C   LIG    1       -0.851  -1.534   1.327  0.00  0.00    +0.040 A 
ATOM     23  C   LIG    1       -0.112  -2.454   2.074  0.00  0.00    +0.043 A 
ATOM     24  C   LIG    1       -0.725  -3.626   2.487  0.00  0.00    +0.112 A 
ATOM     25  N   LIG    1       -2.007  -3.940   2.213  0.00  0.00    -0.263 NA
ATOM     26  C   LIG    1       -2.712  -3.030   1.512  0.00  0.00    +0.112 A 
ATOM     27  C   LIG    1       -2.188  -1.828   1.060  0.00  0.00    +0.043 A 
ENDBRANCH   3  22
BRANCH   7  28
ATOM     28  C   LIG    1        2.855   1.557   1.449  0.00  0.00    +0.076 C 
BRANCH  28  29
ATOM     29  C   LIG    1        3.557   0.359   0.840  0.00  0.00    -0.044 A 
ATOM     30  C   LIG    1        3.782  -0.796   1.605  0.00  0.00    +0.006 A 
ATOM     31  C   LIG    1        4.397  -1.911   1.034  0.00  0.00    +0.038 A 
ATOM     32  C   LIG    1        4.790  -1.871  -0.298  0.00  0.00    +0.123 A 
ATOM     33  F   LIG    1        5.376  -2.943  -0.846  0.00  0.00    -0.205 F 
ATOM     34  C   LIG    1        4.580  -0.736  -1.071  0.00  0.00    +0.038 A 
ATOM     35  C   LIG    1        3.964   0.380  -0.503  0.00  0.00    +0.006 A 
ENDBRANCH  28  29
ENDBRANCH   7  28
TORSDOF 5