REMARK  Name = BDB026784
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.973  -0.838   3.490  0.00  0.00    -0.296 OA
ATOM      2  C   LIG    1       -1.186  -1.079   2.572  0.00  0.00    +0.147 C 
ATOM      3  C   LIG    1       -0.983  -0.078   1.443  0.00  0.00    +0.065 C 
ATOM      4  C   LIG    1        0.518   0.292   1.399  0.00  0.00    +0.046 C 
ATOM      5  C   LIG    1        1.541  -0.861   1.177  0.00  0.00    +0.085 C 
ATOM      6  S   LIG    1        1.344  -2.204   2.428  0.00  0.00    -0.144 S 
ATOM      7  C   LIG    1       -0.455  -2.398   2.501  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1        0.797   1.596   0.645  0.00  0.00    -0.042 A 
ATOM      9  C   LIG    1        0.758   1.703  -0.752  0.00  0.00    +0.005 A 
ATOM     10  C   LIG    1        1.009   2.923  -1.390  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1        1.297   4.056  -0.638  0.00  0.00    +0.041 A 
ATOM     12 CL   LIG    1        1.606   5.553  -1.425  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1        1.335   3.980   0.749  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1        1.085   2.760   1.385  0.00  0.00    +0.005 A 
ENDBRANCH   4   8
BRANCH   5  15
ATOM     15  C   LIG    1        1.795  -1.391  -0.228  0.00  0.00    -0.032 A 
ATOM     16  C   LIG    1        1.054  -2.420  -0.826  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1        1.338  -2.848  -2.127  0.00  0.00    +0.041 A 
ATOM     18 CL   LIG    1        0.394  -4.103  -2.832  0.00  0.00    -0.084 Cl
ATOM     19  C   LIG    1        2.372  -2.271  -2.856  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1        3.135  -1.263  -2.276  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        2.852  -0.833  -0.977  0.00  0.00    +0.005 A 
ENDBRANCH   5  15
BRANCH   3  22
ATOM     22  C   LIG    1       -1.653  -0.592   0.161  0.00  0.00    +0.015 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.130  -0.296   0.158  0.00  0.00    -0.010 C 
ATOM     24  C   LIG    1       -3.634   1.034  -0.337  0.00  0.00    +0.004 C 
ATOM     25  C   LIG    1       -3.874  -0.208  -1.149  0.00  0.00    +0.004 C 
ENDBRANCH  22  23
ENDBRANCH   3  22
TORSDOF 4