REMARK  Name = BDB057083
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.212   1.246  -0.240  0.00  0.00    -0.252 OA
ATOM      2  C   LIG    1       -1.596   0.108  -0.490  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -0.710  -0.972  -0.629  0.00  0.00    -0.278 N 
ATOM      4  N   LIG    1       -2.924  -0.244  -0.633  0.00  0.00    -0.269 N 
ATOM      5  H   LIG    1       -3.127  -1.212  -0.430  0.00  0.00    +0.156 HD
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        0.727  -0.789  -0.331  0.00  0.00    +0.080 C 
ATOM      7  C   LIG    1        1.014  -0.274   1.084  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1        2.523  -0.194   1.322  0.00  0.00    +0.086 C 
ATOM      9  N   LIG    1        3.191   0.649   0.317  0.00  0.00    -0.302 NA
ATOM     10  C   LIG    1        2.949   0.154  -1.046  0.00  0.00    +0.086 C 
ATOM     11  C   LIG    1        1.454   0.072  -1.366  0.00  0.00    +0.038 C 
BRANCH   9  12
ATOM     12  C   LIG    1        4.627   0.766   0.628  0.00  0.00    +0.088 C 
BRANCH  12  13
ATOM     13  C   LIG    1        5.376   1.833  -0.201  0.00  0.00    +0.003 C 
ATOM     14  C   LIG    1        6.815   2.016   0.293  0.00  0.00    +0.005 C 
ATOM     15  C   LIG    1        6.723   3.014   1.445  0.00  0.00    +0.000 C 
ATOM     16  C   LIG    1        5.405   3.763   1.258  0.00  0.00    +0.000 C 
ATOM     17  C   LIG    1        4.811   3.246  -0.047  0.00  0.00    +0.005 C 
ENDBRANCH  12  13
ENDBRANCH   9  12
ENDBRANCH   3   6
BRANCH   4  18
ATOM     18  C   LIG    1       -4.038   0.616  -0.693  0.00  0.00    +0.035 A 
ATOM     19  C   LIG    1       -5.305   0.032  -0.557  0.00  0.00    +0.035 A 
ATOM     20  C   LIG    1       -6.474   0.811  -0.621  0.00  0.00    +0.057 A 
ATOM     21  C   LIG    1       -6.356   2.194  -0.819  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1       -5.100   2.778  -0.966  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1       -3.946   1.991  -0.907  0.00  0.00    +0.023 A 
BRANCH  20  24
ATOM     24  C   LIG    1       -7.827   0.173  -0.437  0.00  0.00    +0.417 C 
ATOM     25  F   LIG    1       -8.826   0.835  -1.084  0.00  0.00    -0.166 F 
ATOM     26  F   LIG    1       -7.877  -1.110  -0.895  0.00  0.00    -0.166 F 
ATOM     27  F   LIG    1       -8.200   0.116   0.871  0.00  0.00    -0.166 F 
ENDBRANCH  20  24
ENDBRANCH   4  18
BRANCH   3  28
ATOM     28  C   LIG    1       -1.050  -2.121  -1.478  0.00  0.00    +0.144 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -1.815  -3.215  -0.766  0.00  0.00    -0.030 A 
ATOM     30  C   LIG    1       -1.583  -3.530   0.580  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1       -2.306  -4.547   1.207  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -3.258  -5.271   0.493  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -3.483  -4.985  -0.852  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -2.764  -3.967  -1.479  0.00  0.00    +0.005 A 
ENDBRANCH  28  29
ENDBRANCH   3  28
TORSDOF 7