REMARK  Name = BDB017229
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.142   0.521  -1.520  0.00  0.00    +0.167 C 
ATOM      2  O   LIG    1       -0.199   0.778  -2.723  0.00  0.00    -0.292 OA
ENDROOT
BRANCH   1   8
ATOM      3  C   LIG    1        6.196  -0.367  -0.182  0.00  0.00    +0.121 A 
ATOM      4  C   LIG    1        5.063  -0.606   0.600  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1        3.774  -0.338   0.101  0.00  0.00    -0.014 A 
ATOM      6  C   LIG    1        3.625   0.178  -1.205  0.00  0.00    -0.017 A 
ATOM      7  C   LIG    1        2.338   0.445  -1.700  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1        1.195   0.211  -0.920  0.00  0.00    +0.018 A 
ATOM      9  C   LIG    1        1.349  -0.306   0.369  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        4.769   0.414  -1.980  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1        2.626  -0.575   0.873  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1        6.040   0.143  -1.470  0.00  0.00    +0.046 A 
BRANCH   3  14
ATOM     13  C   LIG    1        7.712  -1.108   1.495  0.00  0.00    +0.277 C 
ATOM     14  O   LIG    1        7.493  -0.586   0.191  0.00  0.00    -0.495 OA
ENDBRANCH   3  14
ENDBRANCH   1   8
BRANCH   1  15
ATOM     15  C   LIG    1       -1.388   0.532  -0.636  0.00  0.00    +0.074 C 
ATOM     16  C   LIG    1       -2.657   0.490  -1.502  0.00  0.00    +0.095 C 
ATOM     17  N   LIG    1       -3.896   0.495  -0.718  0.00  0.00    -0.301 NA
ATOM     18  C   LIG    1       -3.802   1.090   0.613  0.00  0.00    +0.087 C 
ATOM     19  C   LIG    1       -2.807   2.260   0.621  0.00  0.00    +0.001 C 
ATOM     20  C   LIG    1       -2.822   2.989   1.964  0.00  0.00    +0.009 C 
ATOM     21  C   LIG    1       -1.390   1.765   0.284  0.00  0.00    +0.017 C 
BRANCH  17  22
ATOM     22  C   LIG    1       -4.690  -0.727  -0.787  0.00  0.00    +0.088 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.042  -1.919  -0.146  0.00  0.00    +0.003 C 
ATOM     24  C   LIG    1       -4.305  -2.280   1.296  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -4.884  -3.124   0.196  0.00  0.00    +0.005 C 
ENDBRANCH  22  23
ENDBRANCH  17  22
ENDBRANCH   1  15
TORSDOF 5