REMARK  Name = BDB051249
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.838  -0.303   1.216  0.00  0.00    +0.060 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        3.695  -1.534   1.088  0.00  0.00    +0.100 C 
ATOM      3  C   LIG    1        4.681  -1.752   0.193  0.00  0.00    +0.001 C 
BRANCH   2   4
ATOM      4  N   LIG    1        3.461  -2.583   2.098  0.00  0.00    +0.052 N 
ATOM      5  O   LIG    1        2.708  -2.310   3.042  0.00  0.00    -0.126 OA
ATOM      6  O   LIG    1        4.020  -3.678   1.949  0.00  0.00    -0.126 OA
ENDBRANCH   2   4
BRANCH   3   7
ATOM      7  C   LIG    1        5.094  -0.822  -0.914  0.00  0.00    +0.029 C 
BRANCH   7   8
ATOM      8  C   LIG    1        6.482  -0.237  -0.653  0.00  0.00    +0.015 C 
BRANCH   8   9
ATOM      9  C   LIG    1        6.910   0.693  -1.783  0.00  0.00    +0.121 C 
BRANCH   9  10
ATOM     10  C   LIG    1        8.282   1.244  -1.527  0.00  0.00    +0.305 C 
ATOM     11  O   LIG    1        9.320   0.859  -2.036  0.00  0.00    -0.251 OA
BRANCH  10  12
ATOM     12  O   LIG    1        8.281   2.243  -0.626  0.00  0.00    -0.481 OA
ATOM     13  H   LIG    1        9.225   2.498  -0.550  0.00  0.00    +0.295 HD
ENDBRANCH  10  12
ENDBRANCH   9  10
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   3   7
ENDBRANCH   1   2
BRANCH   1  14
ATOM     14  C   LIG    1        1.592  -0.304   0.317  0.00  0.00    +0.006 C 
BRANCH  14  15
ATOM     15  C   LIG    1        0.546  -1.352   0.709  0.00  0.00    +0.000 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -0.694  -1.338  -0.192  0.00  0.00    +0.000 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.537  -0.068  -0.052  0.00  0.00    +0.000 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.824  -0.168  -0.875  0.00  0.00    +0.000 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.654   1.120  -0.865  0.00  0.00    -0.000 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -4.145   1.582   0.510  0.00  0.00    -0.000 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.981   0.565   1.292  0.00  0.00    -0.000 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -6.234   0.048   0.580  0.00  0.00    -0.000 C 
BRANCH  22  24
ATOM     23  C   LIG    1       -8.512   0.574  -0.359  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1       -7.241   1.149   0.246  0.00  0.00    -0.003 C 
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH   1  14
TORSDOF 17