REMARK  Name = BDB064753
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.169   0.258  -0.851  0.00  0.00    +0.076 A 
ATOM      2  C   LIG    1       -2.214   0.497  -2.231  0.00  0.00    +0.138 A 
ATOM      3  C   LIG    1       -1.065   0.764  -2.965  0.00  0.00    +0.048 A 
ATOM      4  C   LIG    1        0.172   0.755  -2.321  0.00  0.00    +0.011 A 
ATOM      5  C   LIG    1        0.258   0.468  -0.952  0.00  0.00    -0.023 A 
ATOM      6  C   LIG    1       -0.922   0.235  -0.222  0.00  0.00    +0.035 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -3.602  -0.160   1.156  0.00  0.00    +0.241 C 
ATOM      8  N   LIG    1       -3.402   0.089  -0.181  0.00  0.00    -0.279 N 
ATOM      9  H   LIG    1       -4.217   0.305  -0.741  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1       -2.750  -0.308   2.024  0.00  0.00    -0.271 OA
BRANCH   7  13
ATOM     11  C   LIG    1       -7.459  -0.721   1.271  0.00  0.00    +0.035 C 
ATOM     12  C   LIG    1       -6.039  -0.667   0.806  0.00  0.00    -0.025 C 
ATOM     13  C   LIG    1       -5.036  -0.192   1.561  0.00  0.00    +0.063 C 
ENDBRANCH   7  13
ENDBRANCH   1   8
BRANCH   2  14
ATOM     14  O   LIG    1       -3.403   0.439  -2.908  0.00  0.00    -0.505 OA
ATOM     15  H   LIG    1       -3.740  -0.462  -2.755  0.00  0.00    +0.292 HD
ENDBRANCH   2  14
BRANCH   5  16
ATOM     16  C   LIG    1        1.540   0.469  -0.232  0.00  0.00    +0.008 C 
ATOM     17  C   LIG    1        2.686  -0.013  -0.742  0.00  0.00    +0.009 C 
BRANCH  17  18
ATOM     18  C   LIG    1        3.963  -0.018  -0.014  0.00  0.00    -0.018 A 
ATOM     19  C   LIG    1        4.043  -0.322   1.353  0.00  0.00    +0.053 A 
ATOM     20  C   LIG    1        5.284  -0.344   1.989  0.00  0.00    +0.121 A 
ATOM     21  C   LIG    1        6.455  -0.078   1.289  0.00  0.00    +0.090 A 
ATOM     22  C   LIG    1        6.375   0.206  -0.068  0.00  0.00    +0.121 A 
ATOM     23  C   LIG    1        5.146   0.232  -0.723  0.00  0.00    +0.053 A 
BRANCH  20  24
ATOM     24  O   LIG    1        5.393  -0.631   3.319  0.00  0.00    -0.507 OA
ATOM     25  H   LIG    1        4.504  -0.795   3.675  0.00  0.00    +0.292 HD
ENDBRANCH  20  24
BRANCH  22  26
ATOM     26  O   LIG    1        7.493   0.467  -0.806  0.00  0.00    -0.507 OA
ATOM     27  H   LIG    1        8.266   0.419  -0.218  0.00  0.00    +0.292 HD
ENDBRANCH  22  26
ENDBRANCH  17  18
ENDBRANCH   5  16
TORSDOF 7