REMARK  Name = BDB056939
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.695  -1.709  -0.249  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1        1.109  -2.656   0.586  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1       -0.232  -2.527   0.952  0.00  0.00    +0.015 A 
ATOM      4  C   LIG    1       -1.010  -1.468   0.461  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1       -0.419  -0.540  -0.404  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1        0.929  -0.669  -0.764  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -2.442  -1.394   0.896  0.00  0.00    +0.177 C 
ATOM      8  O   LIG    1       -2.837  -2.201   1.740  0.00  0.00    -0.291 OA
BRANCH   7   9
ATOM      9  C   LIG    1       -3.364  -0.323   0.338  0.00  0.00    +0.173 C 
ATOM     10  C   LIG    1       -3.764  -0.585  -1.094  0.00  0.00    +0.323 C 
ATOM     11  O   LIG    1       -3.198  -1.390  -1.827  0.00  0.00    -0.250 OA
ATOM     12  O   LIG    1       -4.773   0.241  -1.588  0.00  0.00    -0.425 OA
ATOM     13  C   LIG    1       -5.569   1.018  -0.727  0.00  0.00    +0.135 A 
ATOM     14  C   LIG    1       -5.530   0.820   0.651  0.00  0.00    -0.004 A 
ATOM     15  C   LIG    1       -6.385   1.567   1.465  0.00  0.00    +0.007 A 
ATOM     16  C   LIG    1       -7.247   2.509   0.896  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -7.267   2.700  -0.487  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1       -6.426   1.949  -1.307  0.00  0.00    +0.046 A 
ATOM     19  C   LIG    1       -4.622  -0.234   1.201  0.00  0.00    +0.061 C 
ENDBRANCH   7   9
ENDBRANCH   4   7
BRANCH   1  20
ATOM     20  O   LIG    1        2.992  -1.904  -0.619  0.00  0.00    -0.475 OA
BRANCH  20  21
ATOM     21  C   LIG    1        3.998  -1.059  -0.024  0.00  0.00    +0.200 C 
ATOM     22  C   LIG    1        3.693  -0.642   1.432  0.00  0.00    +0.067 C 
ATOM     23  C   LIG    1        5.263  -1.941  -0.027  0.00  0.00    +0.067 C 
BRANCH  21  24
ATOM     24  C   LIG    1        4.292   0.198  -0.880  0.00  0.00    +0.351 C 
ATOM     25  O   LIG    1        3.655   0.552  -1.861  0.00  0.00    -0.246 OA
BRANCH  24  26
ATOM     26  O   LIG    1        5.371   0.882  -0.386  0.00  0.00    -0.462 OA
BRANCH  26  28
ATOM     27  C   LIG    1        6.640   1.707  -2.282  0.00  0.00    +0.048 C 
ATOM     28  C   LIG    1        5.750   2.065  -1.103  0.00  0.00    +0.229 C 
ENDBRANCH  26  28
ENDBRANCH  24  26
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 7