REMARK  Name = BDB049489
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.080   1.671   2.611  0.00  0.00    +0.021 C 
ATOM      2  C   LIG    1        0.006   0.209   2.098  0.00  0.00    +0.015 C 
ATOM      3  C   LIG    1       -0.289  -0.665   3.346  0.00  0.00    +0.021 C 
ENDROOT
BRANCH   2   4
ATOM      4  C   LIG    1        1.374  -0.091   1.440  0.00  0.00    -0.037 A 
ATOM      5  C   LIG    1        2.322  -0.956   2.006  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1        3.549  -1.189   1.375  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1        3.866  -0.571   0.165  0.00  0.00    +0.121 A 
ATOM      8  C   LIG    1        2.943   0.297  -0.407  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1        1.714   0.533   0.223  0.00  0.00    +0.008 A 
BRANCH   7  10
ATOM     10  O   LIG    1        5.098  -0.890  -0.332  0.00  0.00    -0.489 OA
BRANCH  10  11
ATOM     11  C   LIG    1        5.439  -0.445  -1.647  0.00  0.00    +0.262 C 
BRANCH  11  12
ATOM     12  C   LIG    1        6.029   0.929  -1.609  0.00  0.00    +0.181 C 
ATOM     13  O   LIG    1        5.309   1.926  -2.347  0.00  0.00    -0.368 OA
ATOM     14  C   LIG    1        6.594   1.552  -2.860  0.00  0.00    +0.195 C 
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   7  10
ENDBRANCH   2   4
BRANCH   2  15
ATOM     15  C   LIG    1       -1.155  -0.043   1.106  0.00  0.00    -0.037 A 
ATOM     16  C   LIG    1       -2.138   0.917   0.818  0.00  0.00    +0.008 A 
ATOM     17  C   LIG    1       -3.180   0.648  -0.083  0.00  0.00    +0.046 A 
ATOM     18  C   LIG    1       -3.265  -0.588  -0.718  0.00  0.00    +0.121 A 
ATOM     19  C   LIG    1       -2.300  -1.554  -0.437  0.00  0.00    +0.046 A 
ATOM     20  C   LIG    1       -1.261  -1.289   0.460  0.00  0.00    +0.008 A 
BRANCH  18  21
ATOM     21  O   LIG    1       -4.221  -0.985  -1.608  0.00  0.00    -0.489 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -5.211  -0.043  -2.026  0.00  0.00    +0.262 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -6.374  -0.066  -1.088  0.00  0.00    +0.181 C 
ATOM     24  O   LIG    1       -7.624   0.325  -1.671  0.00  0.00    -0.368 OA
ATOM     25  C   LIG    1       -7.500  -1.048  -1.267  0.00  0.00    +0.195 C 
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH   2  15
TORSDOF 8