REMARK  Name = BDB043246
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.682   0.771   0.161  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1       -1.568   1.259   1.120  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1       -2.803   0.632   1.323  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1       -3.172  -0.485   0.565  0.00  0.00    -0.042 A 
ATOM      5  C   LIG    1       -2.277  -0.971  -0.396  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -1.044  -0.345  -0.594  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1        0.547   1.288  -0.139  0.00  0.00    -0.492 OA
BRANCH   7   8
ATOM      8  C   LIG    1        1.004   2.387   0.650  0.00  0.00    +0.235 C 
BRANCH   8   9
ATOM      9  C   LIG    1        2.405   2.793   0.191  0.00  0.00    +0.100 C 
BRANCH   9  12
ATOM     10  C   LIG    1        3.622   1.766   3.176  0.00  0.00    +0.088 C 
ATOM     11  C   LIG    1        3.933   1.415   1.781  0.00  0.00    +0.126 A 
ATOM     12  C   LIG    1        3.459   1.802   0.544  0.00  0.00    +0.086 A 
ATOM     13  N   LIG    1        4.156   1.133  -0.439  0.00  0.00    -0.214 NA
ATOM     14  C   LIG    1        4.993   0.355   0.221  0.00  0.00    +0.228 A 
ATOM     15  O   LIG    1        4.911   0.482   1.584  0.00  0.00    -0.440 OA
BRANCH  14  16
ATOM     16  C   LIG    1        5.976  -0.593  -0.298  0.00  0.00    +0.037 A 
ATOM     17  C   LIG    1        6.103  -0.769  -1.684  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1        7.034  -1.668  -2.211  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        7.851  -2.404  -1.356  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        7.738  -2.243   0.024  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        6.806  -1.343   0.549  0.00  0.00    +0.013 A 
ENDBRANCH  14  16
ENDBRANCH   9  12
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  22
ATOM     22  C   LIG    1       -4.511  -1.157   0.767  0.00  0.00    +0.099 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -5.729  -0.574   0.008  0.00  0.00    +0.227 C 
ATOM     24  O   LIG    1       -6.771  -1.607   0.097  0.00  0.00    -0.478 OA
ATOM     25  C   LIG    1       -7.210  -2.188  -1.061  0.00  0.00    +0.189 C 
ATOM     26  C   LIG    1       -6.859  -1.815  -2.294  0.00  0.00    +0.037 C 
ATOM     27  C   LIG    1       -5.966  -0.712  -2.484  0.00  0.00    +0.003 C 
ATOM     28  C   LIG    1       -5.429  -0.123  -1.410  0.00  0.00    +0.032 C 
BRANCH  23  29
ATOM     29  C   LIG    1       -6.299   0.635   0.794  0.00  0.00    +0.353 C 
ATOM     30  O   LIG    1       -5.761   1.728   0.909  0.00  0.00    -0.246 OA
BRANCH  29  31
ATOM     31  O   LIG    1       -7.493   0.374   1.395  0.00  0.00    -0.478 OA
ATOM     32  H   LIG    1       -7.787  -0.531   1.148  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  23  29
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 9