REMARK  Name = BDB017053
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.055  -0.614  -0.042  0.00  0.00    +0.115 A 
ATOM      2  C   LIG    1       -0.291  -0.387  -0.320  0.00  0.00    +0.078 A 
ATOM      3  N   LIG    1       -0.882  -1.623  -0.157  0.00  0.00    -0.329 N 
ATOM      4  C   LIG    1        0.088  -2.517   0.196  0.00  0.00    +0.200 A 
ATOM      5  N   LIG    1        1.265  -1.946   0.274  0.00  0.00    -0.234 NA
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1       -1.020   0.819  -0.694  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -1.198   1.144  -2.046  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1       -1.906   2.292  -2.403  0.00  0.00    +0.039 A 
ATOM      9  C   LIG    1       -2.429   3.111  -1.408  0.00  0.00    +0.123 A 
ATOM     10  F   LIG    1       -3.109   4.213  -1.752  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1       -2.257   2.805  -0.063  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1       -1.549   1.657   0.296  0.00  0.00    +0.013 A 
ENDBRANCH   2   6
BRANCH   1  15
ATOM     13  C   LIG    1        4.456   0.913   0.238  0.00  0.00    +0.062 A 
ATOM     14  C   LIG    1        3.436  -0.038   0.266  0.00  0.00    +0.045 A 
ATOM     15  C   LIG    1        2.146   0.361  -0.062  0.00  0.00    +0.092 A 
ATOM     16  N   LIG    1        1.853   1.640  -0.406  0.00  0.00    -0.253 NA
ATOM     17  C   LIG    1        2.857   2.539  -0.425  0.00  0.00    +0.112 A 
ATOM     18  C   LIG    1        4.165   2.230  -0.114  0.00  0.00    +0.035 A 
BRANCH  13  20
ATOM     19  O   LIG    1        6.793   1.352   0.568  0.00  0.00    -0.245 OA
ATOM     20  C   LIG    1        5.856   0.574   0.573  0.00  0.00    +0.337 C 
BRANCH  20  21
ATOM     21  O   LIG    1        6.020  -0.719   0.897  0.00  0.00    -0.477 OA
ATOM     22  H   LIG    1        6.977  -0.801   1.091  0.00  0.00    +0.295 HD
ENDBRANCH  20  21
ENDBRANCH  13  20
ENDBRANCH   1  15
BRANCH   3  23
ATOM     23  C   LIG    1       -2.284  -1.968  -0.341  0.00  0.00    +0.127 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.054  -1.870   0.942  0.00  0.00    +0.009 C 
ATOM     25  C   LIG    1       -3.133  -3.037   1.894  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -4.347  -2.627   1.107  0.00  0.00    +0.005 C 
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 6