REMARK  Name = BDB065127
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.236   0.358   0.950  0.00  0.00    +0.106 C 
ATOM      2  C   LIG    1       -2.349   0.454  -0.367  0.00  0.00    +0.010 C 
ATOM      3  C   LIG    1       -0.867   0.072   0.021  0.00  0.00    +0.004 C 
ATOM      4  C   LIG    1        0.139  -0.267  -1.176  0.00  0.00    -0.022 C 
ATOM      5  C   LIG    1       -0.627  -0.782  -2.469  0.00  0.00    -0.005 C 
ATOM      6  C   LIG    1       -1.937  -1.476  -2.093  0.00  0.00    +0.035 C 
ATOM      7  C   LIG    1       -0.833   0.198  -3.632  0.00  0.00    +0.008 C 
ATOM      8  C   LIG    1        1.065   0.908  -1.545  0.00  0.00    +0.012 C 
ATOM      9  C   LIG    1       -0.318   1.119   1.032  0.00  0.00    +0.005 C 
ATOM     10  C   LIG    1       -1.286   1.494   2.156  0.00  0.00    +0.001 C 
ATOM     11  C   LIG    1       -2.398   1.913  -0.910  0.00  0.00    +0.015 C 
ATOM     12  C   LIG    1       -2.948  -0.575  -1.392  0.00  0.00    +0.122 C 
ATOM     13  C   LIG    1       -2.460   0.541   2.270  0.00  0.00    +0.015 C 
ENDROOT
BRANCH   1  14
ATOM     14  C   LIG    1       -4.465   1.262   0.909  0.00  0.00    +0.311 C 
ATOM     15  O   LIG    1       -4.619   2.276   1.573  0.00  0.00    -0.251 OA
BRANCH  14  17
ATOM     16  C   LIG    1       -6.565   1.558  -0.085  0.00  0.00    +0.280 C 
ATOM     17  O   LIG    1       -5.372   0.776   0.009  0.00  0.00    -0.468 OA
ENDBRANCH  14  17
ENDBRANCH   1  14
BRANCH  12  18
ATOM     18  O   LIG    1       -3.755   0.058  -2.381  0.00  0.00    -0.391 OA
ATOM     19  H   LIG    1       -4.570   0.356  -1.935  0.00  0.00    +0.210 HD
ENDBRANCH  12  18
BRANCH   4  20
ATOM     20  C   LIG    1        1.057  -1.507  -0.758  0.00  0.00    +0.056 C 
BRANCH  20  21
ATOM     21  C   LIG    1        1.966  -1.453   0.492  0.00  0.00    +0.207 C 
BRANCH  21  22
ATOM     22  C   LIG    1        2.559  -2.799   0.835  0.00  0.00    +0.014 C 
ATOM     23  C   LIG    1        3.207  -3.022   2.151  0.00  0.00    +0.267 C 
ATOM     24  O   LIG    1        3.586  -4.398   2.135  0.00  0.00    -0.457 OA
ATOM     25  C   LIG    1        3.237  -4.944   0.942  0.00  0.00    +0.332 C 
ATOM     26  O   LIG    1        3.426  -6.095   0.596  0.00  0.00    -0.246 OA
ATOM     27  C   LIG    1        2.578  -3.928   0.125  0.00  0.00    +0.097 C 
ENDBRANCH  21  22
BRANCH  21  28
ATOM     28  O   LIG    1        3.065  -0.560   0.234  0.00  0.00    -0.457 OA
BRANCH  28  29
ATOM     29  C   LIG    1        3.529   0.169   1.289  0.00  0.00    +0.310 C 
ATOM     30  O   LIG    1        3.051   0.138   2.415  0.00  0.00    -0.251 OA
BRANCH  29  31
ATOM     31  C   LIG    1        4.765   0.959   0.886  0.00  0.00    +0.092 C 
ATOM     32  C   LIG    1        4.428   2.005  -0.169  0.00  0.00    +0.019 C 
ATOM     33  C   LIG    1        5.402   1.620   2.107  0.00  0.00    +0.019 C 
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH  21  28
ENDBRANCH  20  21
ENDBRANCH   4  20
TORSDOF 9