REMARK  Name = BDB058667
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.659  -3.878  -0.165  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1        1.344  -2.554  -0.061  0.00  0.00    +0.069 C 
ATOM      3  C   LIG    1        0.676  -1.252  -0.256  0.00  0.00    +0.065 C 
ATOM      4  C   LIG    1       -0.628  -1.136  -0.533  0.00  0.00    +0.061 C 
ATOM      5  C   LIG    1        1.757  -0.256  -0.042  0.00  0.00    +0.272 C 
ATOM      6  O   LIG    1        1.650   0.954  -0.093  0.00  0.00    -0.268 OA
ATOM      7  N   LIG    1        2.878  -1.063   0.229  0.00  0.00    -0.156 N 
ATOM      8  N   LIG    1        2.613  -2.429   0.211  0.00  0.00    -0.177 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        4.202  -0.643   0.519  0.00  0.00    +0.060 A 
ATOM     10  C   LIG    1        5.207  -1.596   0.760  0.00  0.00    +0.026 A 
ATOM     11  C   LIG    1        6.521  -1.211   1.045  0.00  0.00    +0.017 A 
ATOM     12  C   LIG    1        6.855   0.142   1.083  0.00  0.00    +0.059 A 
ATOM     13  C   LIG    1        5.868   1.108   0.868  0.00  0.00    +0.017 A 
ATOM     14  C   LIG    1        4.554   0.713   0.584  0.00  0.00    +0.026 A 
BRANCH  12  15
ATOM     15  C   LIG    1        8.254   0.520   1.387  0.00  0.00    +0.337 C 
ATOM     16  O   LIG    1        8.938  -0.061   2.210  0.00  0.00    -0.245 OA
BRANCH  15  17
ATOM     17  O   LIG    1        8.702   1.540   0.625  0.00  0.00    -0.477 OA
ATOM     18  H   LIG    1        8.107   1.792  -0.106  0.00  0.00    +0.295 HD
ENDBRANCH  15  17
ENDBRANCH  12  15
ENDBRANCH   7   9
BRANCH   4  19
ATOM     19  C   LIG    1       -1.348   0.070  -0.736  0.00  0.00    +0.129 A 
ATOM     20  O   LIG    1       -2.679   0.152  -0.390  0.00  0.00    -0.455 OA
ATOM     21  C   LIG    1       -3.157   1.387  -0.705  0.00  0.00    +0.139 A 
ATOM     22  C   LIG    1       -2.146   2.129  -1.272  0.00  0.00    +0.050 A 
ATOM     23  C   LIG    1       -1.007   1.287  -1.311  0.00  0.00    +0.050 A 
BRANCH  21  24
ATOM     24  C   LIG    1       -4.555   1.656  -0.369  0.00  0.00    +0.059 A 
ATOM     25  C   LIG    1       -5.538   0.650  -0.307  0.00  0.00    +0.141 A 
ATOM     26  C   LIG    1       -6.872   0.962  -0.017  0.00  0.00    +0.047 A 
ATOM     27  C   LIG    1       -7.238   2.278   0.253  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -6.278   3.285   0.217  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -4.950   2.977  -0.097  0.00  0.00    +0.015 A 
BRANCH  25  30
ATOM     30  O   LIG    1       -5.224  -0.645  -0.628  0.00  0.00    -0.405 OA
BRANCH  30  31
ATOM     31  C   LIG    1       -5.167  -1.466   0.532  0.00  0.00    +0.575 C 
ATOM     32  F   LIG    1       -4.578  -0.854   1.581  0.00  0.00    -0.133 F 
ATOM     33  F   LIG    1       -6.413  -1.852   0.890  0.00  0.00    -0.133 F 
ATOM     34  F   LIG    1       -4.456  -2.581   0.241  0.00  0.00    -0.133 F 
ENDBRANCH  30  31
ENDBRANCH  25  30
ENDBRANCH  21  24
ENDBRANCH   4  19
TORSDOF 7