REMARK  Name = BDB042477
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.050  -2.989   0.202  0.00  0.00    +0.085 C 
ENDROOT
BRANCH   1   2
ATOM      2  N   LIG    1       -1.177  -2.080   0.362  0.00  0.00    -0.299 NA
ATOM      3  C   LIG    1       -1.143  -1.196   1.530  0.00  0.00    +0.103 C 
ATOM      4  C   LIG    1       -2.462  -0.402   1.691  0.00  0.00    +0.120 C 
ATOM      5  N   LIG    1       -2.812   0.367   0.471  0.00  0.00    -0.327 N 
ATOM      6  C   LIG    1       -1.978   0.082  -0.709  0.00  0.00    +0.120 C 
ATOM      7  C   LIG    1       -1.672  -1.427  -0.859  0.00  0.00    +0.103 C 
BRANCH   5   8
ATOM      8  C   LIG    1       -4.170   0.667   0.339  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1       -4.915   0.389  -0.815  0.00  0.00    +0.023 A 
ATOM     10  C   LIG    1       -6.277   0.711  -0.909  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -6.939   1.338   0.151  0.00  0.00    +0.055 A 
ATOM     12  C   LIG    1       -6.213   1.620   1.312  0.00  0.00    +0.014 A 
ATOM     13  C   LIG    1       -4.854   1.291   1.397  0.00  0.00    +0.023 A 
BRANCH  11  14
ATOM     14  C   LIG    1       -8.407   1.667   0.059  0.00  0.00    +0.417 C 
ATOM     15  F   LIG    1       -8.816   1.938  -1.212  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1       -8.761   2.754   0.801  0.00  0.00    -0.166 F 
ATOM     17  F   LIG    1       -9.195   0.646   0.495  0.00  0.00    -0.166 F 
ENDBRANCH  11  14
ENDBRANCH   5   8
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  C   LIG    1        1.371  -2.412   0.293  0.00  0.00    +0.021 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.719  -1.420  -0.818  0.00  0.00    +0.054 C 
BRANCH  19  27
ATOM     20  C   LIG    1        4.299   3.000   0.659  0.00  0.00    +0.044 C 
ATOM     21  C   LIG    1        5.296   1.966   0.207  0.00  0.00    -0.042 A 
ATOM     22  C   LIG    1        4.904   0.685  -0.245  0.00  0.00    -0.005 A 
ATOM     23  C   LIG    1        5.892  -0.235  -0.655  0.00  0.00    +0.082 A 
ATOM     24  C   LIG    1        5.477  -1.578  -1.130  0.00  0.00    +0.259 A 
ATOM     25  N   LIG    1        4.123  -1.835  -1.131  0.00  0.00    -0.326 N 
ATOM     26  H   LIG    1        3.870  -2.758  -1.464  0.00  0.00    +0.169 HD
ATOM     27  C   LIG    1        3.151  -0.953  -0.729  0.00  0.00    +0.020 A 
ATOM     28  O   LIG    1        6.268  -2.434  -1.507  0.00  0.00    -0.267 OA
ATOM     29  C   LIG    1        7.240   0.116  -0.614  0.00  0.00    +0.136 A 
ATOM     30  F   LIG    1        8.202  -0.735  -0.996  0.00  0.00    -0.205 F 
ATOM     31  C   LIG    1        7.627   1.375  -0.171  0.00  0.00    +0.039 A 
ATOM     32  C   LIG    1        3.492   0.274  -0.303  0.00  0.00    +0.030 A 
ATOM     33  C   LIG    1        6.663   2.295   0.237  0.00  0.00    +0.007 A 
ENDBRANCH  19  27
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 6