REMARK  Name = BDB047291
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.570   0.490   0.600  0.00  0.00    +0.018 A 
ATOM      2  C   LIG    1        1.512   1.347   0.928  0.00  0.00    +0.018 A 
ATOM      3  C   LIG    1        0.278   1.268   0.263  0.00  0.00    -0.008 A 
ATOM      4  C   LIG    1       -0.817   2.220   0.655  0.00  0.00    +0.047 C 
ATOM      5  C   LIG    1        0.100   0.277  -0.714  0.00  0.00    +0.128 A 
ATOM      6  C   LIG    1        1.169  -0.549  -1.106  0.00  0.00    -0.008 A 
ATOM      7  C   LIG    1        1.040  -1.550  -2.221  0.00  0.00    +0.047 C 
ATOM      8  C   LIG    1        2.395  -0.446  -0.425  0.00  0.00    +0.018 A 
ENDROOT
BRANCH   1   9
ATOM      9  C   LIG    1        3.855   0.638   1.351  0.00  0.00    +0.163 C 
ATOM     10  O   LIG    1        4.019   1.615   2.081  0.00  0.00    -0.292 OA
BRANCH   9  12
ATOM     11  C   LIG    1        5.934  -0.009   0.126  0.00  0.00    +0.012 C 
ATOM     12  C   LIG    1        4.945  -0.405   1.205  0.00  0.00    +0.076 C 
ENDBRANCH   9  12
ENDBRANCH   1   9
BRANCH   5  13
ATOM     13  O   LIG    1       -1.117   0.184  -1.345  0.00  0.00    -0.472 OA
BRANCH  13  14
ATOM     14  C   LIG    1       -1.905  -0.922  -0.839  0.00  0.00    +0.311 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -3.016  -0.402   0.053  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1       -3.136  -0.871   1.371  0.00  0.00    +0.008 A 
ATOM     17  C   LIG    1       -4.150  -0.395   2.204  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -5.054   0.554   1.732  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -4.948   1.028   0.426  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -3.936   0.554  -0.410  0.00  0.00    +0.008 A 
ENDBRANCH  14  15
BRANCH  14  21
ATOM     21  C   LIG    1       -2.471  -1.676  -2.052  0.00  0.00    +0.351 C 
ATOM     22  O   LIG    1       -3.036  -2.760  -2.000  0.00  0.00    -0.246 OA
BRANCH  21  23
ATOM     23  O   LIG    1       -2.280  -1.019  -3.229  0.00  0.00    -0.478 OA
ATOM     24  H   LIG    1       -1.801  -0.177  -3.062  0.00  0.00    +0.295 HD
ENDBRANCH  21  23
ENDBRANCH  14  21
ENDBRANCH  13  14
ENDBRANCH   5  13
TORSDOF 7