REMARK  Name = BDB029429
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -6.320  -0.421   0.693  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -5.154  -0.226   0.391  0.00  0.00    +0.222 C 
ATOM      3  N   LIG    1       -4.713   0.445  -0.745  0.00  0.00    -0.285 N 
ATOM      4  H   LIG    1       -5.346   0.834  -1.427  0.00  0.00    +0.155 HD
ATOM      5  C   LIG    1       -3.330   0.494  -0.792  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1       -2.799  -0.148   0.321  0.00  0.00    -0.016 A 
ATOM      7  C   LIG    1       -1.428  -0.236   0.507  0.00  0.00    +0.029 A 
ATOM      8  C   LIG    1       -0.588   0.341  -0.453  0.00  0.00    +0.034 A 
ATOM      9  C   LIG    1       -1.152   0.986  -1.580  0.00  0.00    +0.025 A 
ATOM     10  C   LIG    1       -2.538   1.069  -1.758  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1       -3.915  -0.667   1.179  0.00  0.00    +0.133 C 
ENDROOT
BRANCH   8  12
ATOM     12  N   LIG    1        0.822   0.311  -0.378  0.00  0.00    -0.281 N 
ATOM     13  H   LIG    1        1.307   0.768  -1.138  0.00  0.00    +0.155 HD
ATOM     14  C   LIG    1        1.591  -0.183   0.660  0.00  0.00    +0.248 C 
ATOM     15  O   LIG    1        1.193  -0.620   1.732  0.00  0.00    -0.270 OA
BRANCH  14  16
ATOM     16  C   LIG    1        3.060  -0.128   0.437  0.00  0.00    +0.043 A 
ATOM     17  C   LIG    1        3.885   0.129   1.530  0.00  0.00    +0.072 A 
ATOM     18  C   LIG    1        5.245   0.170   1.310  0.00  0.00    +0.214 A 
ATOM     19  F   LIG    1        6.053   0.430   2.348  0.00  0.00    -0.184 F 
ATOM     20  N   LIG    1        5.822  -0.029   0.107  0.00  0.00    -0.228 NA
ATOM     21  C   LIG    1        5.001  -0.302  -0.927  0.00  0.00    +0.114 A 
ATOM     22  C   LIG    1        3.623  -0.364  -0.818  0.00  0.00    +0.033 A 
ENDBRANCH  14  16
ENDBRANCH   8  12
TORSDOF 2