REMARK  Name = BDB045286
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.204   0.901   1.405  0.00  0.00    +0.015 C 
ATOM      2  C   LIG    1       -1.215   0.874   0.489  0.00  0.00    +0.000 C 
ATOM      3  C   LIG    1        0.184   0.979   1.023  0.00  0.00    +0.185 C 
ATOM      4  O   LIG    1        0.394   1.198   2.215  0.00  0.00    -0.287 OA
ATOM      5  C   LIG    1        1.319   0.797   0.056  0.00  0.00    +0.000 C 
ATOM      6  C   LIG    1        2.557   0.773   0.592  0.00  0.00    +0.015 C 
ATOM      7  C   LIG    1        1.022   0.628  -1.407  0.00  0.00    +0.039 C 
ATOM      8  C   LIG    1       -0.308  -0.067  -1.648  0.00  0.00    +0.009 C 
ATOM      9  C   LIG    1       -1.429   0.721  -0.990  0.00  0.00    +0.039 C 
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1       -5.699  -0.463   1.075  0.00  0.00    +0.162 A 
ATOM     11  C   LIG    1       -6.348   0.640   0.501  0.00  0.00    +0.158 A 
ATOM     12  C   LIG    1       -5.659   1.822   0.228  0.00  0.00    +0.050 A 
ATOM     13  C   LIG    1       -4.300   1.911   0.527  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1       -3.634   0.819   1.094  0.00  0.00    -0.021 A 
ATOM     15  C   LIG    1       -4.336  -0.362   1.371  0.00  0.00    +0.057 A 
BRANCH  10  17
ATOM     16  C   LIG    1       -5.858  -2.682   1.935  0.00  0.00    +0.277 C 
ATOM     17  O   LIG    1       -6.473  -1.571   1.299  0.00  0.00    -0.491 OA
ENDBRANCH  10  17
BRANCH  11  18
ATOM     18  O   LIG    1       -7.683   0.551   0.206  0.00  0.00    -0.503 OA
ATOM     19  H   LIG    1       -7.987   1.398  -0.153  0.00  0.00    +0.292 HD
ENDBRANCH  11  18
ENDBRANCH   1  14
BRANCH   6  20
ATOM     20  C   LIG    1        3.800   0.614  -0.169  0.00  0.00    -0.021 A 
ATOM     21  C   LIG    1        4.552  -0.563  -0.019  0.00  0.00    +0.057 A 
ATOM     22  C   LIG    1        5.738  -0.732  -0.734  0.00  0.00    +0.162 A 
ATOM     23  C   LIG    1        6.160   0.290  -1.593  0.00  0.00    +0.158 A 
ATOM     24  C   LIG    1        5.432   1.464  -1.744  0.00  0.00    +0.050 A 
ATOM     25  C   LIG    1        4.249   1.627  -1.026  0.00  0.00    +0.012 A 
BRANCH  22  26
ATOM     26  O   LIG    1        6.564  -1.826  -0.689  0.00  0.00    -0.491 OA
ATOM     27  C   LIG    1        6.186  -2.872   0.199  0.00  0.00    +0.277 C 
ENDBRANCH  22  26
BRANCH  23  28
ATOM     28  O   LIG    1        7.317   0.153  -2.310  0.00  0.00    -0.503 OA
ATOM     29  H   LIG    1        7.669  -0.722  -2.054  0.00  0.00    +0.292 HD
ENDBRANCH  23  28
ENDBRANCH   6  20
TORSDOF 6