REMARK  Name = BDB014244
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.045   0.111   1.381  0.00  0.00    +0.086 A 
ATOM      2  C   LIG    1       -2.213   0.782   0.481  0.00  0.00    +0.079 A 
ATOM      3  C   LIG    1       -2.175   2.169   0.441  0.00  0.00    +0.090 A 
ATOM      4  C   LIG    1       -1.247   2.543  -0.559  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1       -0.729   1.385  -1.111  0.00  0.00    +0.023 A 
ATOM      6  N   LIG    1       -2.924   2.954   1.251  0.00  0.00    -0.253 NA
ATOM      7  C   LIG    1       -3.721   2.288   2.114  0.00  0.00    +0.112 A 
ATOM      8  N   LIG    1       -1.330   0.325  -0.470  0.00  0.00    -0.356 N 
ATOM      9  H   LIG    1       -1.143  -0.657  -0.642  0.00  0.00    +0.166 HD
ATOM     10  C   LIG    1       -3.821   0.909   2.222  0.00  0.00    +0.037 A 
ENDROOT
BRANCH   1  12
ATOM     11  O   LIG    1       -2.427  -2.092   0.673  0.00  0.00    -0.245 OA
ATOM     12  C   LIG    1       -3.073  -1.363   1.404  0.00  0.00    +0.339 C 
BRANCH  12  13
ATOM     13  O   LIG    1       -3.906  -1.851   2.338  0.00  0.00    -0.477 OA
ATOM     14  H   LIG    1       -3.826  -2.824   2.249  0.00  0.00    +0.295 HD
ENDBRANCH  12  13
ENDBRANCH   1  12
BRANCH   5  15
ATOM     15  C   LIG    1        0.278   1.190  -2.199  0.00  0.00    +0.088 C 
BRANCH  15  16
ATOM     16  C   LIG    1        1.423   0.288  -1.793  0.00  0.00    -0.042 A 
ATOM     17  C   LIG    1        1.535  -1.005  -2.321  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1        2.585  -1.840  -1.931  0.00  0.00    +0.012 A 
ATOM     19  C   LIG    1        3.546  -1.397  -1.011  0.00  0.00    +0.055 A 
ATOM     20  C   LIG    1        3.426  -0.107  -0.475  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1        2.377   0.728  -0.865  0.00  0.00    +0.004 A 
BRANCH  19  22
ATOM     22  C   LIG    1        4.666  -2.308  -0.573  0.00  0.00    +0.417 C 
ATOM     23  F   LIG    1        4.330  -3.059   0.512  0.00  0.00    -0.166 F 
ATOM     24  F   LIG    1        5.043  -3.194  -1.538  0.00  0.00    -0.166 F 
ATOM     25  F   LIG    1        5.800  -1.636  -0.226  0.00  0.00    -0.166 F 
ENDBRANCH  19  22
ENDBRANCH  15  16
ENDBRANCH   5  15
TORSDOF 5