REMARK  Name = BDB047534
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.716  -0.600   0.535  0.00  0.00    +0.033 C 
ATOM      2  C   LIG    1       -3.260  -0.471   0.926  0.00  0.00    -0.040 A 
ATOM      3  C   LIG    1       -2.551  -1.612   0.530  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -1.204  -1.758   0.820  0.00  0.00    +0.049 A 
ATOM      5  C   LIG    1       -0.542  -0.740   1.512  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1       -1.253   0.400   1.915  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1       -3.448  -2.592  -0.159  0.00  0.00    +0.036 C 
ATOM      8  C   LIG    1       -2.619   0.535   1.631  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1       -4.603  -1.670  -0.575  0.00  0.00    +0.013 C 
ENDROOT
BRANCH   1  10
ATOM     10  C   LIG    1       -5.441   0.713   0.162  0.00  0.00    +0.105 C 
BRANCH  10  12
ATOM     11  C   LIG    1       -5.727   1.075  -2.402  0.00  0.00    +0.004 C 
ATOM     12  C   LIG    1       -4.961   1.411  -1.127  0.00  0.00    +0.012 C 
ENDBRANCH  10  12
BRANCH  10  13
ATOM     13  C   LIG    1       -6.948   0.507   0.178  0.00  0.00    +0.308 C 
ATOM     14  O   LIG    1       -7.511  -0.572   0.078  0.00  0.00    -0.251 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -7.639   1.663   0.318  0.00  0.00    -0.480 OA
ATOM     16  H   LIG    1       -7.080   2.461   0.379  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  10  13
ENDBRANCH   1  10
BRANCH   5  17
ATOM     17  O   LIG    1        0.787  -0.982   1.724  0.00  0.00    -0.492 OA
BRANCH  17  18
ATOM     18  C   LIG    1        1.573  -0.016   2.426  0.00  0.00    +0.235 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.064   1.101   1.505  0.00  0.00    +0.100 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.122   0.640   0.565  0.00  0.00    +0.086 A 
ATOM     21  C   LIG    1        3.004  -0.003  -0.649  0.00  0.00    +0.126 A 
ATOM     22  C   LIG    1        1.878  -0.482  -1.469  0.00  0.00    +0.088 C 
ATOM     23  O   LIG    1        4.263  -0.220  -1.132  0.00  0.00    -0.440 OA
ATOM     24  C   LIG    1        5.091   0.310  -0.177  0.00  0.00    +0.228 A 
ATOM     25  N   LIG    1        4.455   0.837   0.853  0.00  0.00    -0.214 NA
BRANCH  24  26
ATOM     26  C   LIG    1        6.527   0.222  -0.427  0.00  0.00    +0.040 A 
ATOM     27  C   LIG    1        7.042  -0.376  -1.584  0.00  0.00    +0.051 A 
ATOM     28  C   LIG    1        8.418  -0.438  -1.782  0.00  0.00    +0.124 A 
ATOM     29  F   LIG    1        8.897  -1.012  -2.894  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1        9.306   0.084  -0.849  0.00  0.00    +0.038 A 
ATOM     31  C   LIG    1        8.810   0.681   0.307  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1        7.429   0.749   0.515  0.00  0.00    +0.013 A 
ENDBRANCH  24  26
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   5  17
TORSDOF 9