REMARK  Name = BDB009139
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.257  -0.315   1.005  0.00  0.00    -0.043 A 
ATOM      2  C   LIG    1       -0.043   0.375   0.808  0.00  0.00    +0.015 A 
ATOM      3  C   LIG    1        1.127  -0.280   0.378  0.00  0.00    +0.018 A 
ATOM      4  C   LIG    1        1.048  -1.659   0.148  0.00  0.00    +0.131 A 
ATOM      5  F   LIG    1        2.128  -2.338  -0.271  0.00  0.00    -0.205 F 
ATOM      6  C   LIG    1       -0.140  -2.361   0.327  0.00  0.00    +0.039 A 
ATOM      7  C   LIG    1       -1.288  -1.692   0.750  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        2.378   0.468   0.179  0.00  0.00    -0.014 A 
ATOM      9  C   LIG    1        3.558   0.093   0.840  0.00  0.00    +0.021 A 
ATOM     10  C   LIG    1        4.745   0.806   0.636  0.00  0.00    +0.037 A 
ATOM     11  C   LIG    1        4.769   1.924  -0.201  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1        3.606   2.309  -0.862  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        2.424   1.585  -0.676  0.00  0.00    +0.008 A 
BRANCH  10  14
ATOM     14  C   LIG    1        5.960   0.383   1.364  0.00  0.00    +0.247 C 
ATOM     15  N   LIG    1        7.079   0.051   0.624  0.00  0.00    -0.298 N 
ATOM     16  C   LIG    1        8.296  -0.385   1.284  0.00  0.00    +0.108 C 
ATOM     17  C   LIG    1        9.294  -0.564   0.151  0.00  0.00    +0.020 C 
ATOM     18  C   LIG    1        8.409  -1.006  -1.007  0.00  0.00    +0.020 C 
ATOM     19  C   LIG    1        7.149  -0.170  -0.814  0.00  0.00    +0.108 C 
ATOM     20  O   LIG    1        5.920   0.336   2.590  0.00  0.00    -0.270 OA
ENDBRANCH  10  14
ENDBRANCH   3   8
BRANCH   1  22
ATOM     21  C   LIG    1       -3.470  -0.349   2.304  0.00  0.00    +0.013 C 
ATOM     22  C   LIG    1       -2.479   0.467   1.466  0.00  0.00    +0.022 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.173   1.238   0.322  0.00  0.00    +0.065 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.872   0.354  -0.711  0.00  0.00    +0.066 A 
ATOM     25  C   LIG    1       -5.361   0.200  -0.685  0.00  0.00    -0.016 A 
ATOM     26  C   LIG    1       -6.218   1.028   0.232  0.00  0.00    +0.037 C 
ATOM     27  C   LIG    1       -7.714   0.955  -0.090  0.00  0.00    +0.005 C 
ATOM     28  C   LIG    1       -8.140  -0.471  -0.411  0.00  0.00    +0.005 C 
ATOM     29  C   LIG    1       -7.356  -1.016  -1.606  0.00  0.00    +0.041 C 
ATOM     30  C   LIG    1       -5.888  -0.697  -1.537  0.00  0.00    +0.023 A 
ATOM     31  C   LIG    1       -5.014  -1.420  -2.495  0.00  0.00    +0.268 A 
ATOM     32  O   LIG    1       -5.461  -2.250  -3.280  0.00  0.00    -0.266 OA
ATOM     33  N   LIG    1       -3.689  -1.084  -2.462  0.00  0.00    -0.243 N 
ATOM     34  H   LIG    1       -3.069  -1.565  -3.105  0.00  0.00    +0.192 HD
ATOM     35  N   LIG    1       -3.104  -0.240  -1.574  0.00  0.00    -0.176 NA
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   1  22
TORSDOF 5