REMARK  Name = BDB055171
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.386  -2.918  -0.364  0.00  0.00    +0.233 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.232  -2.083  -1.332  0.00  0.00    +0.076 C 
BRANCH   2   6
ATOM      3  C   LIG    1       -4.887  -0.637   0.453  0.00  0.00    +0.122 A 
ATOM      4  C   LIG    1       -4.914  -1.758  -0.373  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1       -3.732  -2.223  -0.956  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -2.512  -1.577  -0.706  0.00  0.00    -0.044 A 
ATOM      7  C   LIG    1       -2.495  -0.467   0.149  0.00  0.00    +0.007 A 
ATOM      8  C   LIG    1       -3.676  -0.008   0.734  0.00  0.00    +0.046 A 
BRANCH   3   9
ATOM      9  O   LIG    1       -5.995  -0.143   1.078  0.00  0.00    -0.475 OA
BRANCH   9  11
ATOM     10  C   LIG    1       -8.207  -0.742   0.342  0.00  0.00    +0.067 C 
ATOM     11  C   LIG    1       -7.074   0.293   0.238  0.00  0.00    +0.200 C 
ATOM     12  C   LIG    1       -7.584   1.596   0.883  0.00  0.00    +0.067 C 
BRANCH  11  13
ATOM     13  C   LIG    1       -6.792   0.603  -1.255  0.00  0.00    +0.348 C 
ATOM     14  O   LIG    1       -7.239   0.004  -2.223  0.00  0.00    -0.247 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -5.948   1.642  -1.445  0.00  0.00    -0.478 OA
ATOM     16  H   LIG    1       -5.808   1.664  -2.414  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  11  13
ENDBRANCH   9  11
ENDBRANCH   3   9
ENDBRANCH   2   6
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  O   LIG    1        0.257  -2.111   0.626  0.00  0.00    -0.492 OA
BRANCH  17  18
ATOM     18  C   LIG    1        1.435  -1.492   0.320  0.00  0.00    +0.121 A 
ATOM     19  C   LIG    1        2.115  -1.554  -0.894  0.00  0.00    +0.046 A 
ATOM     20  C   LIG    1        3.318  -0.855  -1.065  0.00  0.00    +0.011 A 
ATOM     21  C   LIG    1        3.863  -0.093  -0.024  0.00  0.00    -0.025 A 
ATOM     22  C   LIG    1        3.167  -0.023   1.187  0.00  0.00    +0.011 A 
ATOM     23  C   LIG    1        1.968  -0.723   1.356  0.00  0.00    +0.046 A 
BRANCH  21  24
ATOM     24  C   LIG    1        5.109   0.649  -0.265  0.00  0.00    +0.008 C 
ATOM     25  C   LIG    1        6.055   0.855   0.667  0.00  0.00    +0.008 C 
BRANCH  25  26
ATOM     26  C   LIG    1        7.298   1.599   0.414  0.00  0.00    -0.025 A 
ATOM     27  C   LIG    1        7.796   2.445   1.414  0.00  0.00    +0.008 A 
ATOM     28  C   LIG    1        8.987   3.149   1.222  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        9.698   3.006   0.032  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        9.222   2.155  -0.963  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        8.030   1.451  -0.771  0.00  0.00    +0.008 A 
ENDBRANCH  25  26
ENDBRANCH  21  24
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 10