REMARK  Name = BDB047521
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.198  -0.327   1.550  0.00  0.00    -0.492 OA
ENDROOT
BRANCH   1   6
ATOM      2  C   LIG    1        4.696   0.198  -1.224  0.00  0.00    +0.033 C 
ATOM      3  C   LIG    1        3.382   0.203  -0.474  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1        2.790  -1.065  -0.482  0.00  0.00    -0.040 A 
ATOM      5  C   LIG    1        1.598  -1.312   0.185  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1        0.976  -0.254   0.851  0.00  0.00    +0.121 A 
ATOM      7  C   LIG    1        1.563   1.024   0.837  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1        3.615  -2.034  -1.268  0.00  0.00    +0.036 C 
ATOM      9  C   LIG    1        2.768   1.262   0.170  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1        4.474  -1.066  -2.095  0.00  0.00    +0.013 C 
BRANCH   2  11
ATOM     11  C   LIG    1        5.908   0.089  -0.276  0.00  0.00    +0.105 C 
BRANCH  11  13
ATOM     12  C   LIG    1        7.564   0.578  -2.224  0.00  0.00    +0.004 C 
ATOM     13  C   LIG    1        7.258  -0.223  -0.963  0.00  0.00    +0.012 C 
ENDBRANCH  11  13
BRANCH  11  14
ATOM     14  C   LIG    1        6.049   1.361   0.551  0.00  0.00    +0.308 C 
ATOM     15  O   LIG    1        6.598   2.384   0.170  0.00  0.00    -0.251 OA
BRANCH  14  16
ATOM     16  O   LIG    1        5.492   1.274   1.781  0.00  0.00    -0.480 OA
ATOM     17  H   LIG    1        4.984   0.452   1.933  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  11  14
ENDBRANCH   2  11
ENDBRANCH   1   6
BRANCH   1  18
ATOM     18  C   LIG    1       -0.877  -1.586   1.562  0.00  0.00    +0.235 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.182  -1.433   2.342  0.00  0.00    +0.100 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.244  -0.765   1.543  0.00  0.00    +0.087 A 
ATOM     21  C   LIG    1       -3.487   0.577   1.339  0.00  0.00    +0.131 A 
ATOM     22  O   LIG    1       -4.579   0.682   0.521  0.00  0.00    -0.440 OA
ATOM     23  C   LIG    1       -4.944  -0.614   0.268  0.00  0.00    +0.228 A 
ATOM     24  N   LIG    1       -4.176  -1.512   0.856  0.00  0.00    -0.214 NA
BRANCH  23  25
ATOM     25  C   LIG    1       -6.104  -0.815  -0.597  0.00  0.00    +0.037 A 
ATOM     26  C   LIG    1       -6.538  -2.118  -0.884  0.00  0.00    +0.013 A 
ATOM     27  C   LIG    1       -7.644  -2.341  -1.708  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -8.332  -1.261  -2.257  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -7.915   0.040  -1.982  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -6.809   0.262  -1.158  0.00  0.00    +0.013 A 
ENDBRANCH  23  25
BRANCH  21  31
ATOM     31  C   LIG    1       -2.841   1.841   1.790  0.00  0.00    +0.051 C 
ATOM     32  C   LIG    1       -2.271   2.617   0.603  0.00  0.00    +0.015 C 
ATOM     33  C   LIG    1       -3.820   2.706   2.584  0.00  0.00    +0.015 C 
ENDBRANCH  21  31
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 10