REMARK  Name = BDB061155
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.599   0.064  -1.859  0.00  0.00    +0.047 C 
ATOM      2  C   LIG    1       -4.276  -0.527  -1.468  0.00  0.00    -0.008 A 
ATOM      3  C   LIG    1       -4.070  -1.171  -0.237  0.00  0.00    +0.128 A 
ATOM      4  C   LIG    1       -2.847  -1.806   0.035  0.00  0.00    -0.008 A 
ATOM      5  C   LIG    1       -2.620  -2.623   1.274  0.00  0.00    +0.047 C 
ATOM      6  C   LIG    1       -1.785  -1.658  -0.873  0.00  0.00    +0.015 A 
ATOM      7  C   LIG    1       -1.940  -0.933  -2.059  0.00  0.00    -0.021 A 
ATOM      8  C   LIG    1       -3.196  -0.397  -2.358  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1       -0.853  -0.784  -3.032  0.00  0.00    +0.058 C 
ATOM     10  C   LIG    1        0.416  -0.478  -2.730  0.00  0.00    +0.176 C 
ATOM     11  C   LIG    1        1.479  -0.321  -3.759  0.00  0.00    +0.231 C 
ATOM     12  O   LIG    1        1.404  -0.440  -4.962  0.00  0.00    -0.283 OA
ATOM     13  C   LIG    1        2.653   0.019  -2.966  0.00  0.00    +0.068 A 
ATOM     14  C   LIG    1        2.257   0.047  -1.632  0.00  0.00    +0.143 A 
ATOM     15  C   LIG    1        3.148   0.343  -0.619  0.00  0.00    +0.092 A 
ATOM     16  C   LIG    1        4.472   0.616  -0.982  0.00  0.00    +0.124 A 
ATOM     17  C   LIG    1        4.861   0.584  -2.341  0.00  0.00    +0.046 A 
ATOM     18  C   LIG    1        3.948   0.283  -3.356  0.00  0.00    +0.019 A 
ATOM     19  O   LIG    1        0.923  -0.244  -1.456  0.00  0.00    -0.451 OA
BRANCH  16  20
ATOM     20  O   LIG    1        5.488   0.927  -0.119  0.00  0.00    -0.492 OA
BRANCH  20  21
ATOM     21  C   LIG    1        5.174   0.971   1.274  0.00  0.00    +0.232 C 
BRANCH  21  22
ATOM     22  C   LIG    1        6.433   1.330   2.080  0.00  0.00    +0.020 C 
ATOM     23  C   LIG    1        6.965   2.712   1.696  0.00  0.00    +0.010 C 
ATOM     24  C   LIG    1        7.529   0.279   1.898  0.00  0.00    +0.010 C 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  16  20
ENDBRANCH   7   9
BRANCH   3  25
ATOM     25  O   LIG    1       -5.104  -1.262   0.657  0.00  0.00    -0.475 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -5.127  -0.248   1.679  0.00  0.00    +0.200 C 
ATOM     27  C   LIG    1       -5.217  -0.993   3.026  0.00  0.00    +0.067 C 
ATOM     28  C   LIG    1       -6.452   0.522   1.527  0.00  0.00    +0.067 C 
BRANCH  26  29
ATOM     29  C   LIG    1       -3.957   0.769   1.783  0.00  0.00    +0.348 C 
ATOM     30  O   LIG    1       -2.997   0.705   2.538  0.00  0.00    -0.247 OA
BRANCH  29  31
ATOM     31  O   LIG    1       -4.047   1.801   0.916  0.00  0.00    -0.478 OA
ATOM     32  H   LIG    1       -3.209   2.292   1.047  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  26  29
ENDBRANCH  25  26
ENDBRANCH   3  25
TORSDOF 8