REMARK  Name = BDB054672
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.255  -2.584   0.125  0.00  0.00    +0.059 A 
ATOM      2  C   LIG    1        2.522  -1.153   0.033  0.00  0.00    +0.187 A 
ATOM      3  O   LIG    1        3.684  -0.594  -0.026  0.00  0.00    -0.287 OA
ATOM      4  C   LIG    1        1.359  -0.363   0.009  0.00  0.00    +0.060 A 
ATOM      5  C   LIG    1        0.070  -0.900   0.070  0.00  0.00    -0.009 A 
ATOM      6  C   LIG    1       -0.115  -2.283   0.159  0.00  0.00    +0.060 A 
ATOM      7  C   LIG    1        0.949  -3.203   0.191  0.00  0.00    +0.187 A 
ATOM      8  O   LIG    1        0.713  -4.465   0.272  0.00  0.00    -0.287 OA
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1       -1.066  -0.027   0.042  0.00  0.00    -0.001 C 
ATOM     10  C   LIG    1       -2.010   0.716   0.019  0.00  0.00    -0.001 C 
BRANCH  10  11
ATOM     11  C   LIG    1       -3.122   1.612  -0.008  0.00  0.00    -0.016 A 
ATOM     12  C   LIG    1       -4.421   1.116  -0.150  0.00  0.00    +0.021 A 
ATOM     13  C   LIG    1       -5.518   1.992  -0.174  0.00  0.00    +0.055 A 
ATOM     14  C   LIG    1       -5.287   3.374  -0.067  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1       -3.990   3.868   0.076  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -2.909   2.987   0.107  0.00  0.00    +0.008 A 
BRANCH  13  17
ATOM     17  C   LIG    1       -6.916   1.462  -0.350  0.00  0.00    +0.417 C 
ATOM     18  F   LIG    1       -7.103   0.217   0.171  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1       -7.862   2.249   0.244  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1       -7.284   1.380  -1.659  0.00  0.00    -0.166 F 
ENDBRANCH  13  17
ENDBRANCH  10  11
ENDBRANCH   5   9
BRANCH   1  21
ATOM     21  C   LIG    1        3.412  -3.452   0.153  0.00  0.00    +0.058 C 
BRANCH  21  23
ATOM     22  C   LIG    1        6.106  -4.175   0.143  0.00  0.00    -0.048 C 
ATOM     23  C   LIG    1        4.819  -4.067   0.162  0.00  0.00    -0.030 C 
ATOM     24  C   LIG    1        6.875  -5.508   0.206  0.00  0.00    +0.026 C 
BRANCH  22  25
ATOM     25  C   LIG    1        6.793  -2.944   0.057  0.00  0.00    +0.026 C 
BRANCH  25  26
ATOM     26  C   LIG    1        7.046  -1.434  -0.037  0.00  0.00    +0.030 C 
BRANCH  26  29
ATOM     27  C   LIG    1        6.824   2.069  -1.547  0.00  0.00    +0.026 C 
ATOM     28  C   LIG    1        6.522   1.342  -0.192  0.00  0.00    -0.048 C 
ATOM     29  C   LIG    1        6.846   0.087  -0.124  0.00  0.00    -0.034 C 
ATOM     30  C   LIG    1        6.868   2.222   1.056  0.00  0.00    +0.026 C 
ENDBRANCH  26  29
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  21  23
ENDBRANCH   1  21
TORSDOF 8