REMARK  Name = BDB038473
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.510   1.996   0.668  0.00  0.00    +0.217 A 
ATOM      2  N   LIG    1        0.668   1.377   0.450  0.00  0.00    -0.198 NA
ATOM      3  C   LIG    1        0.656   0.208  -0.232  0.00  0.00    +0.132 A 
ATOM      4  C   LIG    1       -0.526  -0.346  -0.708  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1       -1.734   0.322  -0.490  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1       -1.724   1.522   0.212  0.00  0.00    +0.077 A 
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1        1.905  -0.407  -0.436  0.00  0.00    -0.248 N 
ATOM      8  C   LIG    1        2.179  -1.554  -1.166  0.00  0.00    +0.253 C 
ATOM      9  O   LIG    1        1.449  -2.284  -1.810  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1        3.628  -1.778  -1.061  0.00  0.00    +0.042 A 
ATOM     11  C   LIG    1        4.388  -2.796  -1.606  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1        5.760  -2.779  -1.356  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        6.333  -1.756  -0.577  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1        5.548  -0.724  -0.028  0.00  0.00    +0.060 A 
ATOM     15  C   LIG    1        4.180  -0.759  -0.288  0.00  0.00    -0.006 A 
ATOM     16  C   LIG    1        3.100   0.180   0.147  0.00  0.00    +0.151 C 
BRANCH  14  17
ATOM     17  C   LIG    1        6.152   0.374   0.805  0.00  0.00    +0.418 C 
ATOM     18  F   LIG    1        5.636   0.410   2.064  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1        5.925   1.607   0.274  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1        7.500   0.271   0.953  0.00  0.00    -0.166 F 
ENDBRANCH  14  17
ENDBRANCH   3   7
BRANCH   5  21
ATOM     21  C   LIG    1       -2.990  -0.230  -0.996  0.00  0.00    +0.080 A 
ATOM     22  N   LIG    1       -3.284  -0.356  -2.338  0.00  0.00    -0.266 N 
ATOM     23  C   LIG    1       -2.457   0.027  -3.460  0.00  0.00    +0.173 C 
ATOM     24  N   LIG    1       -4.500  -0.888  -2.579  0.00  0.00    -0.179 NA
ATOM     25  C   LIG    1       -4.993  -1.109  -1.361  0.00  0.00    +0.146 A 
ATOM     26  C   LIG    1       -4.108  -0.722  -0.338  0.00  0.00    +0.064 A 
BRANCH  26  27
ATOM     27  C   LIG    1       -4.292  -0.820   1.209  0.00  0.00    +0.167 A 
ATOM     28  N   LIG    1       -5.364  -1.304   1.913  0.00  0.00    -0.316 N 
ATOM     29  C   LIG    1       -6.593  -1.852   1.411  0.00  0.00    +0.152 C 
ATOM     30  C   LIG    1       -5.050  -1.172   3.232  0.00  0.00    +0.225 A 
ATOM     31  N   LIG    1       -3.858  -0.642   3.349  0.00  0.00    -0.138 NA
ATOM     32  N   LIG    1       -3.381  -0.424   2.079  0.00  0.00    -0.129 NA
ENDBRANCH  26  27
ENDBRANCH   5  21
BRANCH   1  33
ATOM     33  O   LIG    1       -0.541   3.202   1.339  0.00  0.00    -0.477 OA
BRANCH  33  35
ATOM     34  C   LIG    1        1.564   4.377   1.058  0.00  0.00    +0.048 C 
ATOM     35  C   LIG    1        0.680   3.560   1.986  0.00  0.00    +0.227 C 
ENDBRANCH  33  35
ENDBRANCH   1  33
TORSDOF 6