REMARK  Name = BDB057153
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.130   0.549   0.065  0.00  0.00    +0.000 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.179  -0.402  -1.133  0.00  0.00    +0.000 C 
BRANCH   2   3
ATOM      3  C   LIG    1        2.405  -0.182  -2.028  0.00  0.00    +0.000 C 
BRANCH   3   4
ATOM      4  C   LIG    1        3.729  -0.507  -1.332  0.00  0.00    +0.000 C 
BRANCH   4   5
ATOM      5  C   LIG    1        4.909  -0.368  -2.297  0.00  0.00    +0.000 C 
BRANCH   5   6
ATOM      6  C   LIG    1        6.248  -0.794  -1.689  0.00  0.00    +0.000 C 
BRANCH   6   7
ATOM      7  C   LIG    1        6.708   0.103  -0.538  0.00  0.00    +0.001 C 
BRANCH   7   8
ATOM      8  C   LIG    1        8.102  -0.294  -0.048  0.00  0.00    +0.011 C 
BRANCH   8   9
ATOM      9  C   LIG    1        8.559   0.593   1.108  0.00  0.00    +0.120 C 
BRANCH   9  10
ATOM     10  C   LIG    1        9.930   0.208   1.596  0.00  0.00    +0.305 C 
ATOM     11  O   LIG    1       10.651  -0.676   1.170  0.00  0.00    -0.251 OA
BRANCH  10  12
ATOM     12  O   LIG    1       10.330   0.981   2.626  0.00  0.00    -0.481 OA
ATOM     13  H   LIG    1       11.220   0.637   2.848  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       -0.214   0.558   0.805  0.00  0.00    +0.004 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -0.459  -0.634   1.737  0.00  0.00    +0.027 C 
BRANCH  15  17
ATOM     16  C   LIG    1       -1.980  -2.345   0.555  0.00  0.00    -0.031 C 
ATOM     17  C   LIG    1       -0.805  -1.915   1.041  0.00  0.00    -0.031 C 
BRANCH  16  18
ATOM     18  C   LIG    1       -3.360  -1.740   0.522  0.00  0.00    +0.027 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.697  -0.612   1.499  0.00  0.00    +0.004 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -5.183  -0.233   1.496  0.00  0.00    +0.000 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -5.652   0.380   0.174  0.00  0.00    +0.000 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -7.107   0.849   0.266  0.00  0.00    -0.000 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -7.576   1.460  -1.057  0.00  0.00    -0.000 C 
BRANCH  23  25
ATOM     24  C   LIG    1       -9.383   2.977  -0.085  0.00  0.00    +0.004 C 
ATOM     25  C   LIG    1       -9.055   1.851  -1.054  0.00  0.00    -0.003 C 
ENDBRANCH  23  25
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH  15  17
ENDBRANCH  14  15
ENDBRANCH   1  14
TORSDOF 20