REMARK  Name = BDB014270
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.684   0.284  -0.365  0.00  0.00    +0.086 A 
ATOM      2  C   LIG    1       -2.534   0.517   0.395  0.00  0.00    +0.079 A 
ATOM      3  C   LIG    1       -2.610   1.174   1.618  0.00  0.00    +0.090 A 
ATOM      4  C   LIG    1       -1.300   1.259   2.144  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1       -0.441   0.657   1.243  0.00  0.00    +0.056 A 
ATOM      6  N   LIG    1       -3.772   1.624   2.148  0.00  0.00    -0.253 NA
ATOM      7  C   LIG    1       -4.870   1.390   1.399  0.00  0.00    +0.112 A 
ATOM      8  N   LIG    1       -1.210   0.214   0.190  0.00  0.00    -0.353 N 
ATOM      9  H   LIG    1       -0.852  -0.271  -0.627  0.00  0.00    +0.166 HD
ATOM     10  C   LIG    1       -4.886   0.745   0.173  0.00  0.00    +0.037 A 
ENDROOT
BRANCH   1  12
ATOM     11  O   LIG    1       -4.667  -0.620  -2.352  0.00  0.00    -0.245 OA
ATOM     12  C   LIG    1       -3.684  -0.404  -1.668  0.00  0.00    +0.339 C 
BRANCH  12  13
ATOM     13  O   LIG    1       -2.457  -0.792  -2.062  0.00  0.00    -0.477 OA
ATOM     14  H   LIG    1       -2.616  -1.226  -2.928  0.00  0.00    +0.295 HD
ENDBRANCH  12  13
ENDBRANCH   1  12
BRANCH   5  15
ATOM     15  C   LIG    1        1.038   0.463   1.289  0.00  0.00    +0.282 C 
BRANCH  15  16
ATOM     16  O   LIG    1        1.411  -0.222   0.095  0.00  0.00    -0.483 OA
BRANCH  16  17
ATOM     17  C   LIG    1        2.736  -0.509  -0.079  0.00  0.00    +0.156 A 
ATOM     18  C   LIG    1        3.057  -1.181  -1.264  0.00  0.00    +0.165 A 
ATOM     19  F   LIG    1        2.088  -1.500  -2.137  0.00  0.00    -0.202 F 
ATOM     20  C   LIG    1        4.369  -1.534  -1.566  0.00  0.00    +0.042 A 
ATOM     21  C   LIG    1        5.390  -1.214  -0.675  0.00  0.00    +0.003 A 
ATOM     22  C   LIG    1        5.087  -0.543   0.510  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1        3.765  -0.191   0.810  0.00  0.00    +0.048 A 
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   5  15
TORSDOF 5