REMARK  Name = BDB017246
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.141  -0.664   0.858  0.00  0.00    +0.170 C 
ATOM      2  O   LIG    1       -0.323  -0.897   2.054  0.00  0.00    -0.292 OA
ENDROOT
BRANCH   1   8
ATOM      3  C   LIG    1        6.239   0.488   0.092  0.00  0.00    +0.121 A 
ATOM      4  C   LIG    1        5.149   0.862  -0.697  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1        3.838   0.498  -0.334  0.00  0.00    -0.014 A 
ATOM      6  C   LIG    1        3.624  -0.255   0.842  0.00  0.00    -0.017 A 
ATOM      7  C   LIG    1        2.316  -0.619   1.201  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1        1.220  -0.252   0.408  0.00  0.00    +0.018 A 
ATOM      9  C   LIG    1        1.433   0.504  -0.748  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        4.725  -0.624   1.626  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1        2.732   0.871  -1.116  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1        6.018  -0.255   1.252  0.00  0.00    +0.046 A 
BRANCH   3  14
ATOM     13  C   LIG    1        7.835   1.530  -1.330  0.00  0.00    +0.277 C 
ATOM     14  O   LIG    1        7.551   0.781  -0.156  0.00  0.00    -0.495 OA
ENDBRANCH   3  14
ENDBRANCH   1   8
BRANCH   1  15
ATOM     15  C   LIG    1       -1.272  -0.763  -0.157  0.00  0.00    +0.103 C 
ATOM     16  C   LIG    1       -1.998  -2.104   0.016  0.00  0.00    +0.131 C 
ATOM     17  C   LIG    1       -3.267  -2.126  -0.842  0.00  0.00    +0.047 C 
ATOM     18  C   LIG    1       -4.146  -0.907  -0.579  0.00  0.00    +0.087 C 
ATOM     19  N   LIG    1       -3.390   0.327  -0.805  0.00  0.00    -0.301 NA
ATOM     20  C   LIG    1       -2.224   0.413   0.080  0.00  0.00    +0.098 C 
BRANCH  16  21
ATOM     21  O   LIG    1       -1.107  -3.142  -0.426  0.00  0.00    -0.379 OA
ATOM     22  C   LIG    1       -1.389  -4.405   0.163  0.00  0.00    +0.194 C 
ENDBRANCH  16  21
BRANCH  19  23
ATOM     23  C   LIG    1       -4.225   1.533  -0.780  0.00  0.00    +0.088 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.843   1.860   0.547  0.00  0.00    +0.003 C 
ATOM     25  C   LIG    1       -4.141   2.749   1.545  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -5.346   3.259   0.807  0.00  0.00    +0.005 C 
ENDBRANCH  23  24
ENDBRANCH  19  23
ENDBRANCH   1  15
TORSDOF 6