REMARK  Name = BDB006843
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.225   0.088   1.237  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1        1.163  -0.637   0.519  0.00  0.00    -0.270 N 
ATOM      3  C   LIG    1        2.479  -0.226   0.233  0.00  0.00    +0.040 A 
ATOM      4  C   LIG    1        3.139  -1.208  -0.507  0.00  0.00    -0.024 A 
ATOM      5  C   LIG    1        4.451  -1.042  -0.921  0.00  0.00    +0.006 A 
ATOM      6  C   LIG    1        5.107   0.142  -0.584  0.00  0.00    +0.013 A 
ATOM      7  C   LIG    1        4.458   1.143   0.172  0.00  0.00    +0.057 A 
ATOM      8  C   LIG    1        2.268  -2.404  -0.719  0.00  0.00    +0.056 C 
ATOM      9  C   LIG    1        3.125   0.950   0.579  0.00  0.00    +0.036 A 
ATOM     10  C   LIG    1        0.920  -1.913  -0.178  0.00  0.00    +0.118 C 
ATOM     11  O   LIG    1        0.440   1.192   1.746  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1        5.168   2.428   0.521  0.00  0.00    +0.417 C 
ATOM     13  F   LIG    1        4.949   2.827   1.804  0.00  0.00    -0.166 F 
ATOM     14  F   LIG    1        6.523   2.346   0.388  0.00  0.00    -0.166 F 
ATOM     15  F   LIG    1        4.781   3.467  -0.269  0.00  0.00    -0.166 F 
ENDBRANCH   7  12
BRANCH   1  16
ATOM     16  C   LIG    1       -1.155  -0.563   1.434  0.00  0.00    +0.181 C 
BRANCH  16  23
ATOM     17  C   LIG    1       -4.016   2.434  -0.770  0.00  0.00    +0.025 C 
ATOM     18  C   LIG    1       -3.735   1.069  -0.147  0.00  0.00    +0.065 C 
ATOM     19  N   LIG    1       -4.729   0.107  -0.669  0.00  0.00    -0.311 NA
ATOM     20  H   LIG    1       -5.568   0.162  -0.093  0.00  0.00    +0.122 HD
ATOM     21  C   LIG    1       -4.210  -1.269  -0.672  0.00  0.00    +0.096 C 
ATOM     22  C   LIG    1       -3.107  -1.524   0.374  0.00  0.00    +0.100 C 
ATOM     23  N   LIG    1       -1.909  -0.684   0.170  0.00  0.00    -0.291 NA
ATOM     24  C   LIG    1       -2.269   0.633  -0.408  0.00  0.00    +0.103 C 
ENDBRANCH  16  23
ENDBRANCH   1  16
TORSDOF 3