REMARK  Name = BDB061159
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.990   0.323   0.602  0.00  0.00    +0.124 A 
ATOM      2  C   LIG    1        3.657   0.500   0.202  0.00  0.00    +0.092 A 
ATOM      3  C   LIG    1        2.717  -0.403   0.649  0.00  0.00    +0.143 A 
ATOM      4  O   LIG    1        1.375  -0.378   0.352  0.00  0.00    -0.451 OA
ATOM      5  C   LIG    1        0.820  -1.467   1.016  0.00  0.00    +0.176 C 
ATOM      6  C   LIG    1        1.865  -2.216   1.765  0.00  0.00    +0.231 C 
ATOM      7  O   LIG    1        1.755  -3.209   2.450  0.00  0.00    -0.283 OA
ATOM      8  C   LIG    1       -0.467  -1.838   0.995  0.00  0.00    +0.058 C 
ATOM      9  C   LIG    1        3.076  -1.460   1.477  0.00  0.00    +0.068 A 
ATOM     10  C   LIG    1        4.375  -1.661   1.895  0.00  0.00    +0.019 A 
ATOM     11  C   LIG    1        5.341  -0.750   1.448  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   8  12
ATOM     12  C   LIG    1       -1.541  -1.153   0.265  0.00  0.00    -0.021 A 
ATOM     13  C   LIG    1       -2.491  -1.924  -0.416  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -3.555  -1.324  -1.107  0.00  0.00    -0.008 A 
ATOM     15  C   LIG    1       -4.540  -2.187  -1.842  0.00  0.00    +0.047 C 
ATOM     16  C   LIG    1       -3.688   0.072  -1.058  0.00  0.00    +0.127 A 
ATOM     17  C   LIG    1       -2.728   0.870  -0.416  0.00  0.00    -0.008 A 
ATOM     18  C   LIG    1       -2.823   2.369  -0.404  0.00  0.00    +0.047 C 
ATOM     19  C   LIG    1       -1.674   0.241   0.266  0.00  0.00    +0.015 A 
BRANCH  16  20
ATOM     20  O   LIG    1       -4.736   0.672  -1.708  0.00  0.00    -0.480 OA
BRANCH  20  21
ATOM     21  C   LIG    1       -5.851   0.816  -0.826  0.00  0.00    +0.349 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -7.010   1.474  -1.551  0.00  0.00    +0.343 C 
ATOM     23  O   LIG    1       -7.060   1.851  -2.710  0.00  0.00    -0.247 OA
BRANCH  22  24
ATOM     24  O   LIG    1       -8.087   1.629  -0.749  0.00  0.00    -0.478 OA
ATOM     25  H   LIG    1       -8.748   2.057  -1.334  0.00  0.00    +0.295 HD
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  16  20
ENDBRANCH   8  12
BRANCH   1  26
ATOM     26  O   LIG    1        5.846   1.271   0.112  0.00  0.00    -0.492 OA
BRANCH  26  28
ATOM     27  C   LIG    1        7.681   1.781   1.611  0.00  0.00    +0.048 C 
ATOM     28  C   LIG    1        7.249   1.113   0.318  0.00  0.00    +0.225 C 
ENDBRANCH  26  28
ENDBRANCH   1  26
TORSDOF 7