REMARK  Name = BDB051242
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.261  -0.665  -0.292  0.00  0.00    +0.004 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.418   0.044   0.882  0.00  0.00    +0.000 C 
BRANCH   2   3
ATOM      3  C   LIG    1        1.853  -0.429   1.131  0.00  0.00    +0.000 C 
BRANCH   3   4
ATOM      4  C   LIG    1        2.834  -0.218  -0.027  0.00  0.00    +0.000 C 
BRANCH   4   5
ATOM      5  C   LIG    1        2.974   1.225  -0.522  0.00  0.00    +0.000 C 
BRANCH   5   6
ATOM      6  C   LIG    1        3.405   2.245   0.533  0.00  0.00    +0.000 C 
BRANCH   6   7
ATOM      7  C   LIG    1        4.742   1.983   1.234  0.00  0.00    +0.001 C 
BRANCH   7   8
ATOM      8  C   LIG    1        5.978   2.127   0.338  0.00  0.00    +0.011 C 
BRANCH   8   9
ATOM      9  C   LIG    1        6.449   0.808  -0.275  0.00  0.00    +0.120 C 
BRANCH   9  10
ATOM     10  C   LIG    1        7.724   0.986  -1.055  0.00  0.00    +0.305 C 
ATOM     11  O   LIG    1        8.320   2.024  -1.282  0.00  0.00    -0.251 OA
BRANCH  10  12
ATOM     12  O   LIG    1        8.188  -0.188  -1.529  0.00  0.00    -0.481 OA
ATOM     13  H   LIG    1        9.004   0.058  -2.014  0.00  0.00    +0.295 HD
ENDBRANCH  10  12
ENDBRANCH   9  10
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   6   7
ENDBRANCH   5   6
ENDBRANCH   4   5
ENDBRANCH   3   4
ENDBRANCH   2   3
ENDBRANCH   1   2
BRANCH   1  14
ATOM     14  C   LIG    1       -1.724  -0.236  -0.425  0.00  0.00    +0.029 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -3.320  -1.881  -1.536  0.00  0.00    +0.100 C 
ATOM     16  C   LIG    1       -2.384  -0.911  -1.595  0.00  0.00    +0.001 C 
BRANCH  15  17
ATOM     17  N   LIG    1       -3.836  -2.392  -2.820  0.00  0.00    +0.052 N 
ATOM     18  O   LIG    1       -4.474  -3.452  -2.796  0.00  0.00    -0.126 OA
ATOM     19  O   LIG    1       -3.610  -1.737  -3.847  0.00  0.00    -0.126 OA
ENDBRANCH  15  17
BRANCH  15  20
ATOM     20  C   LIG    1       -3.881  -2.558  -0.315  0.00  0.00    +0.060 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -5.319  -2.148   0.036  0.00  0.00    +0.006 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -5.454  -0.670   0.412  0.00  0.00    +0.000 C 
BRANCH  22  24
ATOM     23  C   LIG    1       -7.025   1.136   1.201  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1       -6.886  -0.332   0.827  0.00  0.00    -0.003 C 
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  15  20
ENDBRANCH  14  16
ENDBRANCH   1  14
TORSDOF 17