REMARK  Name = BDB040080
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.401  -1.133  -0.492  0.00  0.00    -0.032 A 
ATOM      2  C   LIG    1        0.087  -0.603  -0.480  0.00  0.00    +0.028 A 
ATOM      3  C   LIG    1       -0.879  -0.947   0.485  0.00  0.00    +0.037 A 
ATOM      4  C   LIG    1       -0.506  -1.861   1.472  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1        0.778  -2.407   1.496  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        1.713  -2.046   0.529  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1       -2.180  -0.374   0.446  0.00  0.00    -0.263 N 
ATOM      8  C   LIG    1       -3.217  -0.597   1.357  0.00  0.00    +0.251 C 
ATOM      9  O   LIG    1       -3.267  -1.277   2.365  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1       -4.368   0.190   0.897  0.00  0.00    +0.043 A 
ATOM     11  C   LIG    1       -4.010   0.868  -0.264  0.00  0.00    -0.005 A 
ATOM     12  C   LIG    1       -4.933   1.685  -0.892  0.00  0.00    +0.019 A 
ATOM     13  C   LIG    1       -6.214   1.806  -0.335  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -6.556   1.111   0.839  0.00  0.00    +0.002 A 
ATOM     15  I   LIG    1       -4.472   2.730  -2.625  0.00  0.00    -0.043 I 
ATOM     16  C   LIG    1       -5.623   0.289   1.470  0.00  0.00    +0.013 A 
ATOM     17  C   LIG    1       -2.595   0.544  -0.607  0.00  0.00    +0.151 C 
ENDBRANCH   3   7
BRANCH   1  18
ATOM     18  C   LIG    1        2.484  -0.685  -1.591  0.00  0.00    +0.080 C 
ATOM     19  C   LIG    1        3.438  -1.760  -2.176  0.00  0.00    +0.177 C 
ATOM     20  O   LIG    1        3.186  -1.288  -3.526  0.00  0.00    -0.378 OA
ATOM     21  C   LIG    1        2.001  -0.599  -3.061  0.00  0.00    +0.177 C 
BRANCH  18  22
ATOM     22  C   LIG    1        3.212   0.606  -1.188  0.00  0.00    +0.248 C 
ATOM     23  F   LIG    1        2.279   1.608  -1.137  0.00  0.00    -0.236 F 
BRANCH  22  26
ATOM     24  C   LIG    1        2.505   1.970   1.553  0.00  0.00    +0.151 C 
ATOM     25  N   LIG    1        3.600   1.075   1.292  0.00  0.00    -0.318 N 
ATOM     26  C   LIG    1        3.943   0.475   0.107  0.00  0.00    +0.168 A 
ATOM     27  N   LIG    1        5.015  -0.267   0.313  0.00  0.00    -0.132 NA
ATOM     28  N   LIG    1        5.367  -0.161   1.635  0.00  0.00    -0.138 NA
ATOM     29  C   LIG    1        4.510   0.648   2.210  0.00  0.00    +0.224 A 
ENDBRANCH  22  26
ENDBRANCH  18  22
ENDBRANCH   1  18
TORSDOF 4