REMARK  Name = BDB047978
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.498   0.159   0.670  0.00  0.00    +0.019 C 
ATOM      2  C   LIG    1        0.055  -1.169   1.033  0.00  0.00    +0.191 C 
ATOM      3  O   LIG    1       -0.553  -2.094   1.528  0.00  0.00    -0.287 OA
ATOM      4  C   LIG    1        1.470  -1.138   0.699  0.00  0.00    +0.033 A 
ATOM      5  C   LIG    1        1.732   0.122   0.181  0.00  0.00    -0.006 A 
ATOM      6  C   LIG    1        3.015   0.434  -0.230  0.00  0.00    +0.013 A 
ATOM      7  C   LIG    1        4.009  -0.545  -0.097  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1        3.724  -1.820   0.436  0.00  0.00    +0.121 A 
ATOM      9  C   LIG    1        2.428  -2.128   0.844  0.00  0.00    +0.058 A 
ATOM     10  C   LIG    1        0.501   0.915   0.166  0.00  0.00    -0.003 C 
ENDROOT
BRANCH  10  11
ATOM     11  C   LIG    1        0.317   2.292  -0.298  0.00  0.00    -0.017 A 
ATOM     12  C   LIG    1        0.877   3.356   0.418  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1        0.702   4.670  -0.023  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -0.030   4.925  -1.181  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -0.587   3.870  -1.902  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -0.413   2.556  -1.463  0.00  0.00    +0.008 A 
ENDBRANCH  10  11
BRANCH   8  17
ATOM     17  O   LIG    1        4.803  -2.659   0.498  0.00  0.00    -0.495 OA
ATOM     18  C   LIG    1        4.568  -3.969   1.004  0.00  0.00    +0.277 C 
ENDBRANCH   8  17
BRANCH   1  19
ATOM     19  C   LIG    1       -1.938   0.448   0.907  0.00  0.00    +0.160 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.788  -0.241  -0.141  0.00  0.00    +0.312 C 
ATOM     21  O   LIG    1       -2.422  -0.531  -1.273  0.00  0.00    -0.250 OA
BRANCH  20  22
ATOM     22  O   LIG    1       -4.049  -0.430   0.346  0.00  0.00    -0.465 OA
BRANCH  22  24
ATOM     23  C   LIG    1       -4.832  -2.586  -0.432  0.00  0.00    +0.048 C 
ATOM     24  C   LIG    1       -4.971  -1.079  -0.542  0.00  0.00    +0.229 C 
ENDBRANCH  22  24
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 6