REMARK  Name = BDB048501
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.598   0.544   1.164  0.00  0.00    +0.021 C 
ATOM      2  C   LIG    1       -1.454   0.778   0.202  0.00  0.00    -0.003 C 
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1       -2.387   1.932   0.346  0.00  0.00    -0.017 A 
ATOM      4  C   LIG    1       -2.918   2.300   1.594  0.00  0.00    +0.009 A 
ATOM      5  C   LIG    1       -3.794   3.384   1.710  0.00  0.00    +0.016 A 
ATOM      6  C   LIG    1       -4.148   4.110   0.577  0.00  0.00    +0.018 A 
ATOM      7 BR   LIG    1       -5.332   5.575   0.732  0.00  0.00    -0.050 Br
ATOM      8  C   LIG    1       -3.631   3.766  -0.670  0.00  0.00    +0.016 A 
ATOM      9  C   LIG    1       -2.755   2.683  -0.783  0.00  0.00    +0.009 A 
ENDBRANCH   2   3
BRANCH   2  10
ATOM     10  C   LIG    1       -1.432  -0.137  -0.974  0.00  0.00    -0.017 A 
ATOM     11  C   LIG    1       -2.633  -0.667  -1.471  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1       -2.632  -1.528  -2.573  0.00  0.00    +0.016 A 
ATOM     13  C   LIG    1       -1.427  -1.869  -3.186  0.00  0.00    +0.018 A 
ATOM     14 BR   LIG    1       -1.435  -3.036  -4.673  0.00  0.00    -0.050 Br
ATOM     15  C   LIG    1       -0.226  -1.354  -2.709  0.00  0.00    +0.016 A 
ATOM     16  C   LIG    1       -0.231  -0.490  -1.609  0.00  0.00    +0.009 A 
ENDBRANCH   2  10
BRANCH   1  17
ATOM     17  C   LIG    1        0.446   0.238   2.257  0.00  0.00    +0.232 C 
BRANCH  17  18
ATOM     18  O   LIG    1        1.384  -0.054   3.156  0.00  0.00    -0.472 OA
BRANCH  18  21
ATOM     19  C   LIG    1        3.851  -1.660   0.894  0.00  0.00    -0.024 A 
ATOM     20  C   LIG    1        2.784  -0.862   1.306  0.00  0.00    +0.050 A 
ATOM     21  C   LIG    1        2.429  -0.798   2.657  0.00  0.00    +0.123 A 
ATOM     22  C   LIG    1        3.181  -1.510   3.597  0.00  0.00    +0.046 A 
ATOM     23  C   LIG    1        4.259  -2.299   3.185  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1        4.591  -2.377   1.831  0.00  0.00    +0.005 A 
BRANCH  19  25
ATOM     25  C   LIG    1        4.154  -1.740  -0.496  0.00  0.00    +0.139 C 
BRANCH  25  27
ATOM     26  O   LIG    1        3.433  -1.358  -2.731  0.00  0.00    -0.245 OA
ATOM     27  C   LIG    1        4.387  -1.794  -2.022  0.00  0.00    +0.369 C 
ATOM     28  O   LIG    1        5.498  -2.263  -2.399  0.00  0.00    -0.245 OA
ENDBRANCH  25  27
ENDBRANCH  19  25
ENDBRANCH  18  21
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 7