REMARK  Name = BDB042719
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.656   2.282  -1.860  0.00  0.00    +0.029 C 
ATOM      2  C   LIG    1       -0.198   1.421  -0.921  0.00  0.00    +0.081 C 
ATOM      3  C   LIG    1        0.407   0.009  -0.726  0.00  0.00    +0.093 C 
ATOM      4  C   LIG    1       -0.560  -0.886   0.056  0.00  0.00    +0.080 A 
ATOM      5  C   LIG    1       -1.994  -0.574  -0.035  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -2.893  -1.412   0.618  0.00  0.00    +0.054 A 
ATOM      7  C   LIG    1       -2.366  -2.544   1.391  0.00  0.00    +0.273 A 
ATOM      8  N   LIG    1       -1.001  -2.703   1.375  0.00  0.00    -0.242 N 
ATOM      9  H   LIG    1       -0.616  -3.487   1.893  0.00  0.00    +0.192 HD
ATOM     10  O   LIG    1       -3.114  -3.297   2.003  0.00  0.00    -0.266 OA
ATOM     11  C   LIG    1       -4.265  -1.187   0.519  0.00  0.00    +0.052 A 
ATOM     12  C   LIG    1       -4.710  -0.128  -0.260  0.00  0.00    +0.126 A 
ATOM     13  F   LIG    1       -6.026   0.087  -0.388  0.00  0.00    -0.205 F 
ATOM     14  C   LIG    1       -3.814   0.712  -0.921  0.00  0.00    +0.062 A 
ATOM     15  C   LIG    1       -2.435   0.522  -0.785  0.00  0.00    +0.040 A 
ATOM     16  N   LIG    1       -0.106  -1.914   0.714  0.00  0.00    -0.175 NA
ATOM     17  N   LIG    1       -1.546   1.334  -1.509  0.00  0.00    -0.340 N 
ATOM     18  H   LIG    1       -1.947   2.250  -1.708  0.00  0.00    +0.146 HD
ENDROOT
BRANCH   3  19
ATOM     19  C   LIG    1        1.792   0.043  -0.090  0.00  0.00    -0.001 A 
ATOM     20  C   LIG    1        1.995   0.589   1.183  0.00  0.00    +0.128 A 
ATOM     21  F   LIG    1        0.962   1.113   1.858  0.00  0.00    -0.205 F 
ATOM     22  C   LIG    1        3.254   0.611   1.776  0.00  0.00    +0.057 A 
ATOM     23  C   LIG    1        4.345   0.072   1.094  0.00  0.00    +0.055 A 
ATOM     24  C   LIG    1        4.164  -0.482  -0.178  0.00  0.00    +0.019 A 
ATOM     25  C   LIG    1        2.895  -0.499  -0.766  0.00  0.00    +0.008 A 
BRANCH  23  26
ATOM     26  C   LIG    1        5.647   0.087   1.694  0.00  0.00    +0.099 C 
ATOM     27  N   LIG    1        6.702   0.105   2.177  0.00  0.00    -0.191 NA
ENDBRANCH  23  26
ENDBRANCH   3  19
TORSDOF 2