REMARK  Name = BDB055712
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.079   0.490  -1.187  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1        0.380   1.852  -1.191  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        1.588   2.300  -0.815  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -0.566   2.794  -1.589  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -1.839   2.381  -1.985  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -2.179   1.021  -1.972  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -1.205   0.082  -1.588  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1   9
ATOM      8  O   LIG    1        0.716  -1.733  -0.730  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        1.058  -0.556  -0.776  0.00  0.00    +0.247 C 
ATOM     10  N   LIG    1        2.331  -0.147  -0.454  0.00  0.00    -0.304 N 
ATOM     11  H   LIG    1        2.570   0.839  -0.480  0.00  0.00    +0.150 HD
BRANCH  10  12
ATOM     12  C   LIG    1        3.338  -1.086  -0.012  0.00  0.00    +0.107 C 
ATOM     13  C   LIG    1        4.698  -0.445  -0.009  0.00  0.00    -0.022 A 
ATOM     14  C   LIG    1        5.070  -0.067   1.287  0.00  0.00    -0.014 A 
ATOM     15  C   LIG    1        6.269   0.588   1.523  0.00  0.00    +0.006 A 
ATOM     16  C   LIG    1        7.109   0.844   0.437  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        6.738   0.460  -0.862  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        3.990  -0.421   2.268  0.00  0.00    +0.147 C 
ATOM     19  C   LIG    1        5.521  -0.185  -1.094  0.00  0.00    +0.006 A 
ATOM     20  C   LIG    1        3.190  -1.465   1.473  0.00  0.00    +0.063 C 
BRANCH  18  21
ATOM     21  O   LIG    1        4.499  -0.988   3.462  0.00  0.00    -0.387 OA
ATOM     22  H   LIG    1        5.326  -1.448   3.237  0.00  0.00    +0.210 HD
ENDBRANCH  18  21
ENDBRANCH  10  12
ENDBRANCH   1   9
BRANCH   6  23
ATOM     23  C   LIG    1       -3.554   0.582  -2.428  0.00  0.00    +0.093 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.191  -0.486  -1.548  0.00  0.00    +0.074 A 
ATOM     25  C   LIG    1       -4.743  -0.124  -0.217  0.00  0.00    +0.011 A 
ATOM     26  C   LIG    1       -5.296  -1.154   0.542  0.00  0.00    +0.050 A 
ATOM     27  C   LIG    1       -5.834  -0.898   1.809  0.00  0.00    +0.014 A 
ATOM     28  C   LIG    1       -5.819   0.399   2.318  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -5.270   1.435   1.564  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -5.314  -2.520  -0.005  0.00  0.00    +0.272 A 
ATOM     31  O   LIG    1       -5.796  -3.455   0.626  0.00  0.00    -0.266 OA
ATOM     32  N   LIG    1       -4.769  -2.678  -1.255  0.00  0.00    -0.242 N 
ATOM     33  H   LIG    1       -4.762  -3.616  -1.644  0.00  0.00    +0.192 HD
ATOM     34  C   LIG    1       -4.733   1.178   0.298  0.00  0.00    +0.010 A 
ATOM     35  N   LIG    1       -4.217  -1.698  -2.019  0.00  0.00    -0.175 NA
ENDBRANCH  23  24
ENDBRANCH   6  23
TORSDOF 5