REMARK  Name = BDB046248
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.259  -1.544  -0.431  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -2.376  -0.951   0.189  0.00  0.00    -0.002 A 
ATOM      3  C   LIG    1       -2.581   0.430   0.007  0.00  0.00    +0.011 A 
ATOM      4  C   LIG    1       -1.725   1.208  -0.788  0.00  0.00    -0.044 A 
ATOM      5  C   LIG    1       -0.647   0.578  -1.424  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1       -0.403  -0.795  -1.260  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1       -3.352  -1.765   1.026  0.00  0.00    +0.016 C 
ATOM      8  C   LIG    1       -3.380  -1.289   2.481  0.00  0.00    +0.012 C 
ATOM      9  C   LIG    1       -4.760  -1.748   0.421  0.00  0.00    +0.012 C 
ENDBRANCH   2   7
BRANCH   4  10
ATOM     10  C   LIG    1       -1.950   2.697  -0.983  0.00  0.00    +0.013 C 
ATOM     11  C   LIG    1       -1.843   3.458   0.341  0.00  0.00    +0.012 C 
ATOM     12  C   LIG    1       -3.287   2.980  -1.671  0.00  0.00    +0.012 C 
ENDBRANCH   4  10
BRANCH   6  13
ATOM     13  C   LIG    1        0.732  -1.398  -1.995  0.00  0.00    -0.040 C 
ATOM     14  C   LIG    1        2.026  -1.172  -1.686  0.00  0.00    +0.004 C 
ATOM     15  C   LIG    1        0.337  -2.289  -3.143  0.00  0.00    +0.044 C 
BRANCH  14  16
ATOM     16  C   LIG    1        2.524  -0.360  -0.591  0.00  0.00    +0.001 C 
ATOM     17  C   LIG    1        3.835  -0.165  -0.368  0.00  0.00    +0.003 C 
BRANCH  17  18
ATOM     18  C   LIG    1        4.425   0.632   0.715  0.00  0.00    -0.044 C 
ATOM     19  C   LIG    1        5.770   0.671   0.809  0.00  0.00    +0.094 C 
ATOM     20  C   LIG    1        3.474   1.357   1.637  0.00  0.00    +0.044 C 
BRANCH  19  21
ATOM     21  C   LIG    1        6.572   1.379   1.823  0.00  0.00    +0.330 C 
ATOM     22  O   LIG    1        6.206   1.958   2.825  0.00  0.00    -0.246 OA
BRANCH  21  23
ATOM     23  O   LIG    1        7.874   1.301   1.496  0.00  0.00    -0.478 OA
ATOM     24  H   LIG    1        8.321   1.790   2.218  0.00  0.00    +0.295 HD
ENDBRANCH  21  23
ENDBRANCH  19  21
ENDBRANCH  17  18
ENDBRANCH  14  16
ENDBRANCH   6  13
BRANCH   1  26
ATOM     25  C   LIG    1       -0.138  -3.131   0.804  0.00  0.00    +0.277 C 
ATOM     26  O   LIG    1       -1.049  -2.895  -0.271  0.00  0.00    -0.494 OA
ENDBRANCH   1  26
TORSDOF 8