REMARK  Name = BDB052431
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.105  -0.619   0.210  0.00  0.00    -0.032 A 
ATOM      2  C   LIG    1       -0.825  -0.681  -0.346  0.00  0.00    +0.055 A 
ATOM      3  C   LIG    1        0.245   0.110   0.106  0.00  0.00    +0.187 A 
ATOM      4  O   LIG    1        1.405   0.005  -0.451  0.00  0.00    -0.287 OA
ATOM      5  C   LIG    1       -0.108   0.999   1.208  0.00  0.00    +0.059 A 
ATOM      6  C   LIG    1       -1.412   1.109   1.825  0.00  0.00    +0.187 A 
ATOM      7  O   LIG    1       -1.724   1.892   2.796  0.00  0.00    -0.287 OA
ATOM      8  C   LIG    1       -2.378   0.255   1.265  0.00  0.00    +0.055 A 
ENDROOT
BRANCH   1   9
ATOM      9  C   LIG    1       -3.144  -1.456  -0.305  0.00  0.00    +0.025 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -4.263  -2.356  -0.858  0.00  0.00    +0.005 C 
BRANCH  10  11
ATOM     11  C   LIG    1       -5.382  -3.256  -1.409  0.00  0.00    +0.000 C 
BRANCH  11  13
ATOM     12  C   LIG    1       -7.626  -5.058  -2.513  0.00  0.00    +0.000 C 
ATOM     13  C   LIG    1       -6.501  -4.155  -1.960  0.00  0.00    +0.000 C 
ENDBRANCH  11  13
ENDBRANCH  10  11
ENDBRANCH   9  10
ENDBRANCH   1   9
BRANCH   5  14
ATOM     14  C   LIG    1        0.952   1.840   1.718  0.00  0.00    +0.058 C 
BRANCH  14  15
ATOM     15  C   LIG    1        2.269   2.571   2.011  0.00  0.00    -0.030 C 
ATOM     16  C   LIG    1        3.505   2.939   1.940  0.00  0.00    -0.048 C 
ATOM     17  C   LIG    1        4.159   4.000   2.845  0.00  0.00    +0.026 C 
BRANCH  16  18
ATOM     18  C   LIG    1        4.253   2.281   0.939  0.00  0.00    +0.026 C 
BRANCH  18  19
ATOM     19  C   LIG    1        4.599   1.337  -0.220  0.00  0.00    +0.030 C 
BRANCH  19  20
ATOM     20  C   LIG    1        4.511   0.282  -1.334  0.00  0.00    -0.034 C 
ATOM     21  C   LIG    1        4.286  -0.625  -2.235  0.00  0.00    -0.048 C 
ATOM     22  C   LIG    1        4.978  -2.013  -2.018  0.00  0.00    +0.026 C 
ATOM     23  C   LIG    1        4.326  -0.153  -3.728  0.00  0.00    +0.026 C 
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH  14  15
ENDBRANCH   5  14
TORSDOF 9