REMARK  Name = BDB064731
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.507   0.903   0.894  0.00  0.00    -0.017 A 
ATOM      2  C   LIG    1       -2.467   0.214   0.119  0.00  0.00    -0.004 A 
ATOM      3  C   LIG    1       -3.802   0.656   0.119  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1       -4.171   1.761   0.881  0.00  0.00    +0.117 A 
ATOM      5  C   LIG    1       -3.236   2.440   1.649  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -1.908   2.011   1.659  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1       -2.130  -0.963  -0.666  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1       -2.372  -1.080  -2.019  0.00  0.00    +0.203 A 
ATOM      9  O   LIG    1       -1.939  -2.283  -2.481  0.00  0.00    -0.470 OA
ATOM     10  C   LIG    1       -1.416  -2.947  -1.419  0.00  0.00    +0.195 A 
ATOM     11  C   LIG    1       -1.506  -2.180  -0.280  0.00  0.00    +0.049 A 
ENDBRANCH   2   7
BRANCH   1  13
ATOM     12  C   LIG    1        0.719   0.610  -0.116  0.00  0.00    +0.009 C 
ATOM     13  C   LIG    1       -0.083   0.539   0.957  0.00  0.00    +0.009 C 
BRANCH  12  16
ATOM     14  C   LIG    1        4.332   0.196   0.913  0.00  0.00    +0.121 A 
ATOM     15  C   LIG    1        2.991   0.572   0.951  0.00  0.00    +0.053 A 
ATOM     16  C   LIG    1        2.134   0.219  -0.098  0.00  0.00    -0.018 A 
ATOM     17  C   LIG    1        2.649  -0.494  -1.190  0.00  0.00    +0.053 A 
ATOM     18  C   LIG    1        3.993  -0.862  -1.207  0.00  0.00    +0.121 A 
ATOM     19  C   LIG    1        4.843  -0.523  -0.160  0.00  0.00    +0.090 A 
BRANCH  14  20
ATOM     20  O   LIG    1        5.124   0.561   1.963  0.00  0.00    -0.507 OA
ATOM     21  H   LIG    1        6.026   0.242   1.794  0.00  0.00    +0.292 HD
ENDBRANCH  14  20
BRANCH  18  22
ATOM     22  O   LIG    1        4.522  -1.566  -2.249  0.00  0.00    -0.507 OA
ATOM     23  H   LIG    1        3.819  -1.733  -2.899  0.00  0.00    +0.292 HD
ENDBRANCH  18  22
ENDBRANCH  12  16
ENDBRANCH   1  13
BRANCH   4  24
ATOM     24  O   LIG    1       -5.457   2.211   0.906  0.00  0.00    -0.507 OA
ATOM     25  H   LIG    1       -6.003   1.638   0.343  0.00  0.00    +0.292 HD
ENDBRANCH   4  24
TORSDOF 6