REMARK  Name = BDB054701
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.001   0.891  -1.957  0.00  0.00    +0.177 C 
ATOM      2  O   LIG    1       -2.295   0.850  -1.338  0.00  0.00    -0.461 OA
ATOM      3  C   LIG    1       -3.020   1.995  -1.316  0.00  0.00    +0.310 C 
ATOM      4  O   LIG    1       -2.600   3.101  -1.630  0.00  0.00    -0.251 OA
ATOM      5  C   LIG    1       -4.407   1.755  -0.781  0.00  0.00    +0.156 C 
ATOM      6  C   LIG    1       -4.945   0.355  -1.085  0.00  0.00    +0.148 C 
ATOM      7  C   LIG    1       -5.156   0.122  -2.555  0.00  0.00    +0.003 C 
ATOM      8  C   LIG    1       -4.392  -0.600  -3.396  0.00  0.00    +0.002 C 
ATOM      9  C   LIG    1       -3.143  -1.377  -3.070  0.00  0.00    +0.137 C 
ATOM     10  C   LIG    1       -1.874  -0.780  -3.715  0.00  0.00    +0.039 C 
ATOM     11  C   LIG    1       -0.774  -0.446  -2.687  0.00  0.00    +0.047 C 
ENDROOT
BRANCH   6  12
ATOM     12  O   LIG    1       -6.225   0.203  -0.467  0.00  0.00    -0.387 OA
ATOM     13  H   LIG    1       -6.111   0.424   0.473  0.00  0.00    +0.210 HD
ENDBRANCH   6  12
BRANCH   9  14
ATOM     14  O   LIG    1       -3.328  -2.704  -3.568  0.00  0.00    -0.388 OA
ATOM     15  H   LIG    1       -3.551  -2.638  -4.511  0.00  0.00    +0.210 HD
ENDBRANCH   9  14
BRANCH   1  16
ATOM     16  C   LIG    1        0.076   1.168  -0.894  0.00  0.00    +0.044 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -0.039   0.278   0.352  0.00  0.00    +0.004 C 
BRANCH  17  18
ATOM     18  C   LIG    1        0.990   0.608   1.438  0.00  0.00    +0.000 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.413   0.181   1.069  0.00  0.00    +0.000 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.434   0.447   2.183  0.00  0.00    -0.000 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.207  -0.423   3.423  0.00  0.00    -0.000 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.278  -0.237   4.500  0.00  0.00    -0.000 C 
BRANCH  22  24
ATOM     23  C   LIG    1        6.353  -1.172   3.327  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1        5.382  -1.294   4.485  0.00  0.00    -0.003 C 
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 10