REMARK  Name = BDB047565
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.338  -1.983   0.645  0.00  0.00    -0.492 OA
ENDROOT
BRANCH   1   6
ATOM      2  C   LIG    1       -4.727   0.512   0.875  0.00  0.00    +0.033 C 
ATOM      3  C   LIG    1       -3.457  -0.277   0.625  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -2.421   0.195   1.440  0.00  0.00    -0.040 A 
ATOM      5  C   LIG    1       -1.166  -0.396   1.433  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1       -0.932  -1.477   0.580  0.00  0.00    +0.121 A 
ATOM      7  C   LIG    1       -1.968  -1.958  -0.233  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1       -2.877   1.333   2.294  0.00  0.00    +0.036 C 
ATOM      9  C   LIG    1       -3.238  -1.363  -0.208  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1       -4.119   1.784   1.519  0.00  0.00    +0.013 C 
BRANCH   2  11
ATOM     11  C   LIG    1       -5.604   0.800  -0.364  0.00  0.00    +0.105 C 
BRANCH  11  13
ATOM     12  C   LIG    1       -7.400   2.301  -1.399  0.00  0.00    +0.004 C 
ATOM     13  C   LIG    1       -6.598   1.958  -0.147  0.00  0.00    +0.012 C 
ENDBRANCH  11  13
BRANCH  11  14
ATOM     14  C   LIG    1       -6.400  -0.444  -0.697  0.00  0.00    +0.308 C 
ATOM     15  O   LIG    1       -7.113  -1.082   0.059  0.00  0.00    -0.251 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -6.287  -0.807  -1.990  0.00  0.00    -0.480 OA
ATOM     17  H   LIG    1       -6.876  -1.586  -2.069  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  11  14
ENDBRANCH   2  11
ENDBRANCH   1   6
BRANCH   1  18
ATOM     18  C   LIG    1        0.686  -2.998  -0.298  0.00  0.00    +0.235 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.160  -3.365  -0.126  0.00  0.00    +0.100 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.096  -2.295  -0.570  0.00  0.00    +0.086 A 
ATOM     21  C   LIG    1        3.323  -1.782  -1.831  0.00  0.00    +0.126 A 
ATOM     22  C   LIG    1        2.777  -2.032  -3.175  0.00  0.00    +0.088 C 
ATOM     23  O   LIG    1        4.286  -0.818  -1.726  0.00  0.00    -0.440 OA
ATOM     24  C   LIG    1        4.608  -0.801  -0.394  0.00  0.00    +0.228 A 
ATOM     25  N   LIG    1        3.935  -1.674   0.330  0.00  0.00    -0.214 NA
BRANCH  24  26
ATOM     26  C   LIG    1        5.631   0.153   0.028  0.00  0.00    +0.037 A 
ATOM     27  C   LIG    1        6.270   1.013  -0.884  0.00  0.00    +0.019 A 
ATOM     28  C   LIG    1        7.245   1.927  -0.457  0.00  0.00    -0.015 A 
ATOM     29  C   LIG    1        7.945   2.820  -1.436  0.00  0.00    +0.047 C 
ATOM     30  C   LIG    1        7.592   1.956   0.895  0.00  0.00    +0.126 A 
ATOM     31  F   LIG    1        8.537   2.804   1.325  0.00  0.00    -0.205 F 
ATOM     32  C   LIG    1        6.974   1.116   1.815  0.00  0.00    +0.039 A 
ATOM     33  C   LIG    1        5.996   0.220   1.383  0.00  0.00    +0.016 A 
ENDBRANCH  24  26
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 9