REMARK  Name = BDB047371
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.147  -1.571  -0.877  0.00  0.00    -0.492 OA
ENDROOT
BRANCH   1   7
ATOM      2  C   LIG    1       -5.426   0.599   0.612  0.00  0.00    +0.210 C 
ATOM      3  O   LIG    1       -5.502  -0.710  -0.042  0.00  0.00    -0.474 OA
ATOM      4  C   LIG    1       -4.206  -1.029  -0.337  0.00  0.00    +0.126 A 
ATOM      5  C   LIG    1       -3.278  -0.202   0.265  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -1.921  -0.405   0.076  0.00  0.00    +0.053 A 
ATOM      7  C   LIG    1       -1.505  -1.457  -0.749  0.00  0.00    +0.121 A 
ATOM      8  C   LIG    1       -2.460  -2.293  -1.354  0.00  0.00    +0.049 A 
ATOM      9  C   LIG    1       -3.828  -2.080  -1.143  0.00  0.00    +0.049 A 
ATOM     10  C   LIG    1       -3.977   0.791   1.113  0.00  0.00    +0.098 C 
BRANCH   2  12
ATOM     11  C   LIG    1       -6.491   1.789   2.655  0.00  0.00    +0.008 C 
ATOM     12  C   LIG    1       -6.467   0.567   1.747  0.00  0.00    +0.057 C 
ENDBRANCH   2  12
BRANCH   2  13
ATOM     13  C   LIG    1       -5.825   1.650  -0.438  0.00  0.00    +0.349 C 
ATOM     14  O   LIG    1       -6.410   1.458  -1.493  0.00  0.00    -0.246 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -5.503   2.917  -0.094  0.00  0.00    -0.478 OA
ATOM     16  H   LIG    1       -5.829   3.447  -0.853  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH   2  13
ENDBRANCH   1   7
BRANCH   1  17
ATOM     17  C   LIG    1        0.341  -2.577  -1.764  0.00  0.00    +0.232 C 
BRANCH  17  18
ATOM     18  C   LIG    1        1.862  -2.495  -1.793  0.00  0.00    +0.082 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.349  -1.160  -2.353  0.00  0.00    +0.232 C 
BRANCH  19  20
ATOM     20  O   LIG    1        3.776  -1.126  -2.373  0.00  0.00    -0.490 OA
BRANCH  20  21
ATOM     21  C   LIG    1        4.445  -0.580  -1.310  0.00  0.00    +0.139 A 
ATOM     22  C   LIG    1        5.818  -0.343  -1.481  0.00  0.00    +0.083 A 
ATOM     23 CL   LIG    1        6.616  -0.707  -2.973  0.00  0.00    -0.080 Cl
ATOM     24  C   LIG    1        6.588   0.204  -0.447  0.00  0.00    +0.027 A 
ATOM     25  C   LIG    1        6.002   0.514   0.785  0.00  0.00    -0.037 A 
ATOM     26  C   LIG    1        4.635   0.273   0.960  0.00  0.00    +0.007 A 
ATOM     27  C   LIG    1        3.865  -0.271  -0.076  0.00  0.00    +0.047 A 
BRANCH  25  28
ATOM     28  C   LIG    1        6.827   1.111   1.901  0.00  0.00    +0.148 C 
BRANCH  28  29
ATOM     29  C   LIG    1        6.730   2.624   1.993  0.00  0.00    +0.394 C 
ATOM     30  F   LIG    1        7.152   3.226   0.861  0.00  0.00    -0.170 F 
ATOM     31  F   LIG    1        7.507   3.079   3.005  0.00  0.00    -0.170 F 
ATOM     32  F   LIG    1        5.467   3.034   2.244  0.00  0.00    -0.170 F 
ENDBRANCH  28  29
ENDBRANCH  25  28
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 11