REMARK  Name = BDB047031
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.906  -0.246  -3.089  0.00  0.00    +0.232 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1       -1.419  -1.029  -2.013  0.00  0.00    -0.492 OA
BRANCH   2   6
ATOM      3  C   LIG    1       -4.542   0.238   0.457  0.00  0.00    -0.044 A 
ATOM      4  C   LIG    1       -4.066   1.113  -0.527  0.00  0.00    +0.007 A 
ATOM      5  C   LIG    1       -3.023   0.732  -1.379  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -2.442  -0.529  -1.258  0.00  0.00    +0.121 A 
ATOM      7  C   LIG    1       -2.912  -1.400  -0.273  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1       -3.953  -1.024   0.579  0.00  0.00    +0.007 A 
BRANCH   3   9
ATOM      9  C   LIG    1       -5.676   0.648   1.365  0.00  0.00    +0.078 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -7.057   0.645   0.694  0.00  0.00    +0.230 C 
BRANCH  10  12
ATOM     11  C   LIG    1       -9.218   1.590   1.001  0.00  0.00    +0.195 C 
ATOM     12  O   LIG    1       -7.948   1.331   1.584  0.00  0.00    -0.368 OA
ENDBRANCH  10  12
BRANCH  10  13
ATOM     13  C   LIG    1       -7.476  -0.804   0.425  0.00  0.00    +0.334 C 
ATOM     14  O   LIG    1       -8.027  -1.570   1.200  0.00  0.00    -0.248 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -7.188  -1.208  -0.831  0.00  0.00    -0.479 OA
ATOM     16  H   LIG    1       -7.478  -2.144  -0.854  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  10  13
ENDBRANCH   9  10
ENDBRANCH   3   9
ENDBRANCH   2   6
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  C   LIG    1        0.177   0.721  -2.627  0.00  0.00    +0.082 C 
BRANCH  17  18
ATOM     18  C   LIG    1        1.306   0.012  -1.884  0.00  0.00    +0.232 C 
BRANCH  18  19
ATOM     19  O   LIG    1        2.315   0.984  -1.601  0.00  0.00    -0.492 OA
BRANCH  19  20
ATOM     20  C   LIG    1        3.427   0.549  -0.936  0.00  0.00    +0.121 A 
ATOM     21  C   LIG    1        3.662  -0.749  -0.487  0.00  0.00    +0.046 A 
ATOM     22  C   LIG    1        4.852  -1.057   0.185  0.00  0.00    +0.012 A 
ATOM     23  C   LIG    1        5.832  -0.079   0.422  0.00  0.00    -0.018 A 
ATOM     24  C   LIG    1        5.580   1.222  -0.036  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1        4.392   1.531  -0.706  0.00  0.00    +0.046 A 
BRANCH  23  26
ATOM     26  C   LIG    1        7.081  -0.409   1.128  0.00  0.00    -0.018 A 
ATOM     27  C   LIG    1        7.058  -1.031   2.388  0.00  0.00    +0.008 A 
ATOM     28  C   LIG    1        8.244  -1.344   3.059  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        9.473  -1.042   2.479  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        9.519  -0.426   1.231  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        8.332  -0.113   0.562  0.00  0.00    +0.008 A 
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 12