REMARK  Name = BDB045524
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.233   1.491   0.478  0.00  0.00    +0.232 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1       -1.258   0.583   0.888  0.00  0.00    -0.491 OA
BRANCH   2   8
ATOM      3  C   LIG    1       -3.507  -0.104   1.053  0.00  0.00    +0.036 A 
ATOM      4  C   LIG    1       -4.873   0.074   0.738  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1       -5.295   1.168  -0.030  0.00  0.00    +0.059 A 
ATOM      6  C   LIG    1       -4.343   2.060  -0.533  0.00  0.00    +0.018 A 
ATOM      7  C   LIG    1       -2.989   1.889  -0.248  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1       -2.564   0.824   0.548  0.00  0.00    +0.127 A 
BRANCH   5   9
ATOM      9  C   LIG    1       -6.718   1.435  -0.382  0.00  0.00    +0.164 C 
ATOM     10  O   LIG    1       -6.978   1.989  -1.451  0.00  0.00    -0.292 OA
ATOM     11  C   LIG    1       -7.809   1.056   0.584  0.00  0.00    +0.092 C 
ENDBRANCH   5   9
BRANCH   4  12
ATOM     12  O   LIG    1       -5.816  -0.831   1.148  0.00  0.00    -0.506 OA
ATOM     13  H   LIG    1       -5.394  -1.681   1.345  0.00  0.00    +0.292 HD
ENDBRANCH   4  12
BRANCH   3  14
ATOM     14  C   LIG    1       -3.022  -1.249   1.926  0.00  0.00    +0.042 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -3.361  -3.190   0.293  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1       -2.378  -2.403   1.147  0.00  0.00    +0.001 C 
ENDBRANCH  14  16
ENDBRANCH   3  14
ENDBRANCH   2   8
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  C   LIG    1        0.288   1.113  -0.907  0.00  0.00    +0.082 C 
BRANCH  17  18
ATOM     18  C   LIG    1        1.356   2.082  -1.403  0.00  0.00    +0.232 C 
BRANCH  18  19
ATOM     19  O   LIG    1        2.438   2.199  -0.480  0.00  0.00    -0.492 OA
BRANCH  19  20
ATOM     20  C   LIG    1        3.468   1.305  -0.549  0.00  0.00    +0.121 A 
ATOM     21  C   LIG    1        3.567   0.216  -1.410  0.00  0.00    +0.049 A 
ATOM     22  C   LIG    1        4.689  -0.620  -1.358  0.00  0.00    +0.049 A 
ATOM     23  C   LIG    1        5.722  -0.379  -0.449  0.00  0.00    +0.122 A 
ATOM     24  C   LIG    1        5.624   0.709   0.414  0.00  0.00    +0.049 A 
ATOM     25  C   LIG    1        4.501   1.543   0.361  0.00  0.00    +0.049 A 
BRANCH  23  26
ATOM     26  O   LIG    1        6.756  -1.272  -0.507  0.00  0.00    -0.481 OA
BRANCH  26  27
ATOM     27  C   LIG    1        7.834  -1.064   0.411  0.00  0.00    +0.349 C 
BRANCH  27  28
ATOM     28  C   LIG    1        8.873  -2.151   0.194  0.00  0.00    +0.343 C 
ATOM     29  O   LIG    1        9.912  -2.240   0.833  0.00  0.00    -0.247 OA
BRANCH  28  30
ATOM     30  O   LIG    1        8.540  -3.026  -0.787  0.00  0.00    -0.478 OA
ATOM     31  H   LIG    1        7.671  -2.772  -1.168  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 14