REMARK  Name = BDB058096
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.165  -0.946   0.051  0.00  0.00    +0.132 C 
ATOM      2  C   LIG    1       -0.758   0.482  -0.014  0.00  0.00    +0.060 C 
ATOM      3  C   LIG    1       -2.289   0.598   0.177  0.00  0.00    +0.032 C 
ATOM      4  C   LIG    1       -3.103  -0.069  -0.940  0.00  0.00    +0.019 C 
ATOM      5  C   LIG    1       -2.650   2.097   0.213  0.00  0.00    +0.019 C 
ATOM      6  C   LIG    1       -2.663  -0.047   1.509  0.00  0.00    +0.179 C 
ATOM      7  O   LIG    1       -3.568   0.393   2.215  0.00  0.00    -0.291 OA
ATOM      8  C   LIG    1       -1.924  -1.272   1.915  0.00  0.00    +0.094 C 
ATOM      9  C   LIG    1       -0.834  -1.658   1.230  0.00  0.00    +0.036 C 
ENDROOT
BRANCH   1  10
ATOM     10  C   LIG    1        1.388  -1.061   0.208  0.00  0.00    +0.085 A 
ATOM     11  C   LIG    1        2.352  -0.056  -0.032  0.00  0.00    +0.017 A 
ATOM     12  C   LIG    1        3.713  -0.372   0.172  0.00  0.00    +0.050 A 
ATOM     13  C   LIG    1        4.092  -1.641   0.568  0.00  0.00    +0.142 A 
ATOM     14  F   LIG    1        5.383  -1.939   0.753  0.00  0.00    -0.204 F 
ATOM     15  C   LIG    1        3.114  -2.583   0.756  0.00  0.00    +0.149 A 
ATOM     16  N   LIG    1        1.799  -2.321   0.583  0.00  0.00    -0.253 NA
BRANCH  11  17
ATOM     17  C   LIG    1        2.099   1.303  -0.492  0.00  0.00    +0.041 A 
ATOM     18  S   LIG    1        2.114   1.685  -2.167  0.00  0.00    +0.012 S 
ATOM     19  N   LIG    1        1.810   3.304  -1.977  0.00  0.00    -0.218 NA
ATOM     20  C   LIG    1        1.773   3.577  -0.676  0.00  0.00    +0.121 A 
ATOM     21  C   LIG    1        1.948   2.481   0.217  0.00  0.00    +0.037 A 
ENDBRANCH  11  17
ENDBRANCH   1  10
BRANCH   1  23
ATOM     22  C   LIG    1       -0.063  -1.440  -2.340  0.00  0.00    +0.195 C 
ATOM     23  O   LIG    1       -0.617  -1.736  -1.068  0.00  0.00    -0.366 OA
ENDBRANCH   1  23
BRANCH   8  24
ATOM     24  C   LIG    1       -2.411  -2.038   3.010  0.00  0.00    +0.102 C 
ATOM     25  N   LIG    1       -2.763  -2.697   3.900  0.00  0.00    -0.191 NA
ENDBRANCH   8  24
TORSDOF 4