REMARK  Name = BDB056940
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.442   0.331  -0.609  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1       -1.325  -0.062   0.723  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1       -0.095   0.042   1.383  0.00  0.00    +0.015 A 
ATOM      4  C   LIG    1        1.031   0.532   0.713  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1        0.912   0.959  -0.612  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1       -0.321   0.854  -1.263  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        2.307   0.647   1.462  0.00  0.00    +0.200 C 
ATOM      8  O   LIG    1        2.286   0.949   2.654  0.00  0.00    -0.286 OA
BRANCH   7   9
ATOM      9  C   LIG    1        3.592   0.425   0.748  0.00  0.00    +0.107 A 
ATOM     10  C   LIG    1        3.779  -0.679  -0.218  0.00  0.00    +0.348 A 
ATOM     11  O   LIG    1        2.900  -1.499  -0.456  0.00  0.00    -0.244 OA
ATOM     12  O   LIG    1        5.015  -0.755  -0.854  0.00  0.00    -0.422 OA
ATOM     13  C   LIG    1        6.064   0.126  -0.535  0.00  0.00    +0.139 A 
ATOM     14  C   LIG    1        5.889   1.125   0.418  0.00  0.00    +0.018 A 
ATOM     15  C   LIG    1        6.959   1.973   0.711  0.00  0.00    +0.011 A 
ATOM     16  C   LIG    1        8.181   1.811   0.049  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        8.337   0.803  -0.905  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1        7.274  -0.048  -1.201  0.00  0.00    +0.047 A 
ATOM     19  C   LIG    1        4.596   1.257   1.066  0.00  0.00    +0.030 A 
ENDBRANCH   7   9
ENDBRANCH   4   7
BRANCH   1  20
ATOM     20  O   LIG    1       -2.565   0.295  -1.380  0.00  0.00    -0.475 OA
BRANCH  20  21
ATOM     21  C   LIG    1       -3.706  -0.506  -1.042  0.00  0.00    +0.200 C 
ATOM     22  C   LIG    1       -4.660  -0.300  -2.236  0.00  0.00    +0.067 C 
ATOM     23  C   LIG    1       -3.334  -1.997  -0.990  0.00  0.00    +0.067 C 
BRANCH  21  24
ATOM     24  C   LIG    1       -4.500  -0.035   0.200  0.00  0.00    +0.351 C 
ATOM     25  O   LIG    1       -4.364   1.049   0.754  0.00  0.00    -0.246 OA
BRANCH  24  26
ATOM     26  O   LIG    1       -5.413  -0.979   0.580  0.00  0.00    -0.462 OA
BRANCH  26  28
ATOM     27  C   LIG    1       -7.445   0.155   1.251  0.00  0.00    +0.048 C 
ATOM     28  C   LIG    1       -6.237  -0.640   1.706  0.00  0.00    +0.229 C 
ENDBRANCH  26  28
ENDBRANCH  24  26
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 7