REMARK  Name = BDB059980
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.029  -0.115   0.211  0.00  0.00    +0.052 C 
ATOM      2  C   LIG    1       -0.217  -0.906  -0.757  0.00  0.00    +0.187 C 
ATOM      3  O   LIG    1       -0.691  -1.770  -1.486  0.00  0.00    -0.287 OA
ATOM      4  C   LIG    1        1.234  -0.640  -0.835  0.00  0.00    +0.058 C 
ATOM      5  C   LIG    1        1.858   0.253  -0.058  0.00  0.00    +0.007 C 
ATOM      6  C   LIG    1        1.061   1.035   0.911  0.00  0.00    +0.224 C 
ATOM      7  O   LIG    1        1.556   1.882   1.650  0.00  0.00    -0.284 OA
ATOM      8  C   LIG    1       -0.405   0.784   0.989  0.00  0.00    +0.171 C 
ENDROOT
BRANCH   1  10
ATOM      9  C   LIG    1       -3.257  -0.048  -1.078  0.00  0.00    +0.026 C 
ATOM     10  C   LIG    1       -2.531  -0.363   0.273  0.00  0.00    +0.056 C 
ATOM     11  C   LIG    1       -2.846  -1.753   0.795  0.00  0.00    -0.019 C 
ATOM     12  C   LIG    1       -3.853  -2.516   0.333  0.00  0.00    -0.076 C 
ATOM     13  C   LIG    1       -4.108  -3.901   0.854  0.00  0.00    +0.039 C 
ATOM     14  C   LIG    1       -4.794  -2.034  -0.743  0.00  0.00    +0.031 C 
ATOM     15  C   LIG    1       -4.717  -0.526  -1.000  0.00  0.00    +0.013 C 
BRANCH   9  17
ATOM     16  C   LIG    1       -3.280   2.473  -0.723  0.00  0.00    +0.007 C 
ATOM     17  C   LIG    1       -3.205   1.410  -1.542  0.00  0.00    -0.076 C 
ATOM     18  C   LIG    1       -3.067   1.603  -3.031  0.00  0.00    +0.039 C 
ENDBRANCH   9  17
ENDBRANCH   1  10
BRANCH   8  19
ATOM     19  O   LIG    1       -1.094   1.546   1.924  0.00  0.00    -0.503 OA
ATOM     20  H   LIG    1       -0.413   2.119   2.340  0.00  0.00    +0.292 HD
ENDBRANCH   8  19
BRANCH   5  21
ATOM     21  C   LIG    1        3.334   0.531  -0.143  0.00  0.00    +0.039 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.109  -0.124   1.005  0.00  0.00    +0.005 C 
BRANCH  22  23
ATOM     23  C   LIG    1        5.627   0.039   0.882  0.00  0.00    +0.000 C 
BRANCH  23  24
ATOM     24  C   LIG    1        6.095   1.488   1.022  0.00  0.00    -0.003 C 
ATOM     25  C   LIG    1        7.613   1.585   1.008  0.00  0.00    +0.004 C 
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   5  21
TORSDOF 7