REMARK  Name = BDB062075
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        5.331  -1.254  -1.181  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1        4.837  -0.450  -0.400  0.00  0.00    +0.271 A 
ATOM      3  C   LIG    1        3.374  -0.314  -0.255  0.00  0.00    +0.053 A 
ATOM      4  C   LIG    1        2.839   0.607   0.641  0.00  0.00    +0.056 A 
ATOM      5  C   LIG    1        1.450   0.730   0.771  0.00  0.00    +0.059 A 
ATOM      6  C   LIG    1        0.593  -0.068   0.007  0.00  0.00    +0.122 A 
ATOM      7  C   LIG    1        1.132  -0.991  -0.891  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1        3.731   1.456   1.455  0.00  0.00    +0.271 A 
ATOM      9  O   LIG    1        3.288   2.272   2.255  0.00  0.00    -0.266 OA
ATOM     10  N   LIG    1        5.082   1.286   1.274  0.00  0.00    -0.263 N 
ATOM     11  H   LIG    1        5.708   1.861   1.829  0.00  0.00    +0.190 HD
ATOM     12  C   LIG    1        2.520  -1.114  -1.023  0.00  0.00    +0.017 A 
ATOM     13  N   LIG    1        5.614   0.368   0.383  0.00  0.00    -0.263 N 
ATOM     14  H   LIG    1        6.623   0.288   0.295  0.00  0.00    +0.190 HD
ENDROOT
BRANCH   6  15
ATOM     15  O   LIG    1       -0.738   0.152   0.232  0.00  0.00    -0.487 OA
BRANCH  15  16
ATOM     16  C   LIG    1       -1.669  -0.646  -0.503  0.00  0.00    +0.267 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -3.087  -0.298  -0.123  0.00  0.00    +0.025 A 
ATOM     18  C   LIG    1       -4.126  -0.657  -0.986  0.00  0.00    +0.130 A 
ATOM     19  F   LIG    1       -3.845  -1.279  -2.141  0.00  0.00    -0.205 F 
ATOM     20  C   LIG    1       -5.457  -0.391  -0.677  0.00  0.00    +0.039 A 
ATOM     21  C   LIG    1       -5.772   0.241   0.524  0.00  0.00    +0.003 A 
ATOM     22  C   LIG    1       -4.753   0.595   1.407  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -3.418   0.323   1.090  0.00  0.00    +0.010 A 
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   6  15
TORSDOF 3