REMARK  Name = BDB045555
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.326   0.933   0.754  0.00  0.00    +0.276 C 
ENDROOT
BRANCH   1  10
ATOM      2  C   LIG    1       -6.299  -1.963   1.087  0.00  0.00    +0.048 C 
ATOM      3  C   LIG    1       -5.255  -1.068   0.468  0.00  0.00    -0.002 A 
ATOM      4  C   LIG    1       -5.155  -0.938  -0.929  0.00  0.00    +0.123 A 
ATOM      5  C   LIG    1       -4.237  -0.064  -1.535  0.00  0.00    -0.002 A 
ATOM      6  C   LIG    1       -4.205   0.074  -3.038  0.00  0.00    +0.048 C 
ATOM      7  C   LIG    1       -3.396   0.719  -0.716  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -2.446   1.718  -1.328  0.00  0.00    +0.043 C 
ATOM      9  C   LIG    1       -1.911   2.685  -0.287  0.00  0.00    +0.056 C 
ATOM     10  C   LIG    1       -1.490   1.930   0.977  0.00  0.00    +0.142 C 
ATOM     11  O   LIG    1       -2.614   1.229   1.540  0.00  0.00    -0.482 OA
ATOM     12  C   LIG    1       -1.070   2.962   2.038  0.00  0.00    +0.059 C 
ATOM     13  C   LIG    1       -3.429   0.537   0.677  0.00  0.00    +0.128 A 
ATOM     14  C   LIG    1       -4.337  -0.361   1.278  0.00  0.00    -0.002 A 
ATOM     15  C   LIG    1       -4.355  -0.513   2.781  0.00  0.00    +0.048 C 
BRANCH   4  16
ATOM     16  O   LIG    1       -5.966  -1.663  -1.764  0.00  0.00    -0.506 OA
ATOM     17  H   LIG    1       -6.265  -2.460  -1.299  0.00  0.00    +0.292 HD
ENDBRANCH   4  16
ENDBRANCH   1  10
BRANCH   1  18
ATOM     18  O   LIG    1        0.792   1.607   0.174  0.00  0.00    -0.488 OA
BRANCH  18  19
ATOM     19  C   LIG    1        1.904   0.859  -0.093  0.00  0.00    +0.121 A 
ATOM     20  C   LIG    1        2.056  -0.505   0.152  0.00  0.00    +0.046 A 
ATOM     21  C   LIG    1        3.255  -1.150  -0.173  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1        4.317  -0.440  -0.745  0.00  0.00    -0.046 A 
ATOM     23  C   LIG    1        4.160   0.930  -0.988  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1        2.961   1.569  -0.664  0.00  0.00    +0.046 A 
BRANCH  22  25
ATOM     25  C   LIG    1        5.618  -1.131  -1.081  0.00  0.00    +0.059 C 
BRANCH  25  26
ATOM     26  C   LIG    1        6.717  -0.895  -0.042  0.00  0.00    +0.146 C 
ATOM     27  C   LIG    1        8.051  -1.397  -0.555  0.00  0.00    +0.234 C 
ATOM     28  O   LIG    1        8.520  -1.143  -1.657  0.00  0.00    -0.274 OA
ATOM     29  N   LIG    1        8.693  -2.174   0.359  0.00  0.00    -0.246 N 
ATOM     30  H   LIG    1        9.576  -2.605   0.135  0.00  0.00    +0.158 HD
ATOM     31  C   LIG    1        8.008  -2.586   1.449  0.00  0.00    +0.279 C 
ATOM     32  O   LIG    1        8.396  -3.409   2.260  0.00  0.00    -0.263 OA
ATOM     33  S   LIG    1        6.449  -1.810   1.519  0.00  0.00    -0.054 S 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 6