REMARK  Name = BDB002931
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.685   0.196   0.212  0.00  0.00    +0.124 A 
ATOM      2  C   LIG    1       -1.385   0.118   0.729  0.00  0.00    +0.055 A 
ATOM      3  C   LIG    1       -0.275  -0.133  -0.097  0.00  0.00    +0.003 A 
ATOM      4  C   LIG    1       -0.510  -0.312  -1.472  0.00  0.00    +0.108 A 
ATOM      5  C   LIG    1       -1.807  -0.241  -1.993  0.00  0.00    +0.135 A 
ATOM      6  C   LIG    1       -2.894   0.016  -1.155  0.00  0.00    +0.091 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        1.072  -0.205   0.497  0.00  0.00    -0.010 A 
ATOM      8  C   LIG    1        1.784   0.956   0.891  0.00  0.00    -0.039 A 
ATOM      9  C   LIG    1        1.209   2.336   0.714  0.00  0.00    +0.044 C 
ATOM     10  C   LIG    1        3.055   0.826   1.478  0.00  0.00    +0.053 A 
ATOM     11  C   LIG    1        3.616  -0.431   1.646  0.00  0.00    +0.159 A 
ATOM     12  C   LIG    1        2.935  -1.572   1.244  0.00  0.00    +0.159 A 
ATOM     13  C   LIG    1        1.669  -1.470   0.680  0.00  0.00    +0.058 A 
BRANCH  11  14
ATOM     14  O   LIG    1        4.856  -0.539   2.209  0.00  0.00    -0.503 OA
ATOM     15  H   LIG    1        5.034  -1.501   2.217  0.00  0.00    +0.292 HD
ENDBRANCH  11  14
BRANCH  12  16
ATOM     16  O   LIG    1        3.551  -2.780   1.421  0.00  0.00    -0.503 OA
ATOM     17  H   LIG    1        2.999  -3.461   0.998  0.00  0.00    +0.292 HD
ENDBRANCH  12  16
ENDBRANCH   3   7
BRANCH   1  19
ATOM     18  C   LIG    1       -4.992   0.552   0.687  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1       -3.650   0.451   1.147  0.00  0.00    -0.495 OA
ENDBRANCH   1  19
BRANCH   4  20
ATOM     20  C   LIG    1        0.611  -0.603  -2.375  0.00  0.00    +0.341 C 
ATOM     21  O   LIG    1        1.089  -1.699  -2.599  0.00  0.00    -0.245 OA
BRANCH  20  22
ATOM     22  O   LIG    1        1.093   0.534  -2.907  0.00  0.00    -0.477 OA
ATOM     23  H   LIG    1        1.836   0.236  -3.470  0.00  0.00    +0.295 HD
ENDBRANCH  20  22
ENDBRANCH   4  20
BRANCH   5  24
ATOM     24  O   LIG    1       -2.012  -0.430  -3.333  0.00  0.00    -0.506 OA
ATOM     25  H   LIG    1       -2.958  -0.344  -3.538  0.00  0.00    +0.292 HD
ENDBRANCH   5  24
TORSDOF 7