REMARK  Name = BDB058661
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.795   3.611   1.346  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1        2.325   2.239   1.080  0.00  0.00    +0.069 C 
ATOM      3  C   LIG    1        1.496   1.018   1.028  0.00  0.00    +0.065 C 
ATOM      4  C   LIG    1        0.170   1.039   1.205  0.00  0.00    +0.061 C 
ATOM      5  C   LIG    1        2.469  -0.064   0.727  0.00  0.00    +0.272 C 
ATOM      6  O   LIG    1        2.228  -1.247   0.586  0.00  0.00    -0.268 OA
ATOM      7  N   LIG    1        3.694   0.627   0.656  0.00  0.00    -0.156 N 
ATOM      8  N   LIG    1        3.589   1.996   0.870  0.00  0.00    -0.177 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        4.980   0.090   0.390  0.00  0.00    +0.066 A 
ATOM     10  C   LIG    1        5.179  -1.276   0.149  0.00  0.00    +0.067 A 
ATOM     11  C   LIG    1        6.460  -1.765  -0.107  0.00  0.00    +0.169 A 
ATOM     12  F   LIG    1        6.635  -3.075  -0.335  0.00  0.00    -0.201 F 
ATOM     13  C   LIG    1        7.562  -0.921  -0.132  0.00  0.00    +0.188 A 
ATOM     14  C   LIG    1        7.376   0.431   0.104  0.00  0.00    +0.169 A 
ATOM     15  F   LIG    1        8.419   1.274   0.088  0.00  0.00    -0.201 F 
ATOM     16  C   LIG    1        6.103   0.937   0.362  0.00  0.00    +0.067 A 
BRANCH  13  17
ATOM     17  O   LIG    1        8.811  -1.414  -0.384  0.00  0.00    -0.502 OA
ATOM     18  H   LIG    1        8.721  -2.375  -0.526  0.00  0.00    +0.292 HD
ENDBRANCH  13  17
ENDBRANCH   7   9
BRANCH   4  19
ATOM     19  C   LIG    1       -0.721  -0.065   1.157  0.00  0.00    +0.129 A 
ATOM     20  O   LIG    1       -2.042   0.130   0.808  0.00  0.00    -0.455 OA
ATOM     21  C   LIG    1       -2.681  -1.068   0.787  0.00  0.00    +0.136 A 
ATOM     22  C   LIG    1       -1.823  -2.053   1.212  0.00  0.00    +0.050 A 
ATOM     23  C   LIG    1       -0.582  -1.415   1.455  0.00  0.00    +0.050 A 
BRANCH  21  24
ATOM     24  C   LIG    1       -4.083  -1.036   0.414  0.00  0.00    +0.028 A 
ATOM     25  C   LIG    1       -4.576  -0.369  -0.704  0.00  0.00    +0.031 A 
ATOM     26  C   LIG    1       -3.883   0.364  -1.770  0.00  0.00    +0.164 C 
ATOM     27  C   LIG    1       -4.896   0.985  -2.699  0.00  0.00    +0.084 C 
ATOM     28  C   LIG    1       -6.248   0.421  -2.259  0.00  0.00    +0.044 C 
ATOM     29  O   LIG    1       -2.677   0.466  -1.912  0.00  0.00    -0.292 OA
ATOM     30  C   LIG    1       -5.941  -0.335  -1.005  0.00  0.00    -0.036 A 
ATOM     31  C   LIG    1       -6.862  -0.987  -0.198  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -6.395  -1.677   0.920  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1       -5.023  -1.702   1.221  0.00  0.00    +0.012 A 
ENDBRANCH  21  24
ENDBRANCH   4  19
TORSDOF 4