REMARK  Name = BDB002897
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.360  -0.370  -0.831  0.00  0.00    -0.021 A 
ATOM      2  C   LIG    1        0.348   0.600  -0.879  0.00  0.00    +0.058 A 
ATOM      3  C   LIG    1       -0.989   0.210  -0.992  0.00  0.00    +0.178 A 
ATOM      4  C   LIG    1       -1.319  -1.141  -1.103  0.00  0.00    +0.177 A 
ATOM      5  C   LIG    1       -0.322  -2.113  -1.095  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1        1.014  -1.726  -0.951  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        3.685  -0.569   0.005  0.00  0.00    +0.092 C 
ATOM      8  C   LIG    1        2.756   0.071  -0.722  0.00  0.00    +0.015 C 
BRANCH   7   9
ATOM      9  C   LIG    1        5.062  -0.040   0.069  0.00  0.00    +0.332 C 
ATOM     10  O   LIG    1        5.463   0.959  -0.505  0.00  0.00    -0.246 OA
BRANCH   9  12
ATOM     11  C   LIG    1        7.150  -0.456   1.020  0.00  0.00    +0.280 C 
ATOM     12  O   LIG    1        5.789  -0.860   0.869  0.00  0.00    -0.465 OA
ENDBRANCH   9  12
ENDBRANCH   7   9
ENDBRANCH   1   8
BRANCH   3  13
ATOM     13  O   LIG    1       -2.015   1.159  -1.089  0.00  0.00    -0.391 OA
BRANCH  13  14
ATOM     14  C   LIG    1       -2.153   2.013  -0.005  0.00  0.00    +0.515 C 
ATOM     15  O   LIG    1       -1.429   2.080   0.978  0.00  0.00    -0.202 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -3.245   2.793  -0.230  0.00  0.00    -0.437 OA
ATOM     17  C   LIG    1       -3.515   3.717   0.822  0.00  0.00    +0.284 C 
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH   3  13
BRANCH   4  18
ATOM     18  O   LIG    1       -2.632  -1.564  -1.333  0.00  0.00    -0.391 OA
BRANCH  18  19
ATOM     19  C   LIG    1       -3.481  -1.413  -0.251  0.00  0.00    +0.515 C 
ATOM     20  O   LIG    1       -3.191  -0.983   0.857  0.00  0.00    -0.202 OA
BRANCH  19  21
ATOM     21  O   LIG    1       -4.718  -1.833  -0.630  0.00  0.00    -0.437 OA
ATOM     22  C   LIG    1       -5.702  -1.725   0.397  0.00  0.00    +0.284 C 
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 9