REMARK  Name = BDB056737
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.159   2.102  -0.867  0.00  0.00    +0.150 C 
ATOM      2  N   LIG    1       -0.058   0.678  -0.972  0.00  0.00    -0.328 N 
ATOM      3  C   LIG    1        0.736  -0.296  -0.410  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1        0.127  -1.489  -0.787  0.00  0.00    +0.090 A 
ATOM      5  C   LIG    1        0.677  -2.712  -0.371  0.00  0.00    +0.033 A 
ATOM      6  C   LIG    1        1.835  -2.699   0.414  0.00  0.00    +0.048 A 
ATOM      7  C   LIG    1        2.440  -1.490   0.763  0.00  0.00    +0.131 A 
ATOM      8  N   LIG    1       -0.988  -1.254  -1.547  0.00  0.00    -0.229 NA
ATOM      9  C   LIG    1        1.893  -0.257   0.379  0.00  0.00    +0.074 A 
ATOM     10  C   LIG    1       -1.098   0.059  -1.634  0.00  0.00    +0.148 A 
ENDROOT
BRANCH   7  11
ATOM     11  O   LIG    1        3.561  -1.564   1.562  0.00  0.00    -0.456 OA
BRANCH  11  12
ATOM     12  C   LIG    1        4.671  -0.860   1.152  0.00  0.00    +0.131 A 
ATOM     13  C   LIG    1        5.371  -0.162   2.135  0.00  0.00    +0.086 A 
ATOM     14  C   LIG    1        6.519   0.544   1.786  0.00  0.00    +0.145 A 
ATOM     15  F   LIG    1        7.172   1.222   2.742  0.00  0.00    -0.204 F 
ATOM     16  C   LIG    1        6.980   0.546   0.470  0.00  0.00    +0.076 A 
ATOM     17 CL   LIG    1        8.398   1.422   0.038  0.00  0.00    -0.081 Cl
ATOM     18  C   LIG    1        6.292  -0.171  -0.509  0.00  0.00    +0.026 A 
ATOM     19  C   LIG    1        5.138  -0.882  -0.167  0.00  0.00    +0.048 A 
ENDBRANCH  11  12
ENDBRANCH   7  11
BRANCH  10  20
ATOM     20  C   LIG    1       -2.192   0.781  -2.354  0.00  0.00    +0.303 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -2.768   1.769  -1.493  0.00  0.00    -0.484 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -3.771   1.392  -0.642  0.00  0.00    +0.122 A 
ATOM     23  C   LIG    1       -4.167   0.084  -0.359  0.00  0.00    +0.060 A 
ATOM     24  C   LIG    1       -5.210  -0.152   0.550  0.00  0.00    +0.062 A 
ATOM     25  C   LIG    1       -5.847   0.923   1.181  0.00  0.00    +0.015 A 
ATOM     26  C   LIG    1       -5.447   2.228   0.905  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -4.412   2.458  -0.001  0.00  0.00    +0.046 A 
BRANCH  24  28
ATOM     28  C   LIG    1       -5.670  -1.523   0.881  0.00  0.00    +0.337 C 
ATOM     29  O   LIG    1       -6.514  -1.810   1.710  0.00  0.00    -0.245 OA
BRANCH  28  30
ATOM     30  O   LIG    1       -5.060  -2.470   0.148  0.00  0.00    -0.477 OA
ATOM     31  H   LIG    1       -5.447  -3.311   0.471  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  24  28
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  10  20
TORSDOF 7