REMARK  Name = BDB054837
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.404  -3.746   1.117  0.00  0.00    +0.114 C 
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1       -3.348  -0.634   0.422  0.00  0.00    -0.017 A 
ATOM      3  C   LIG    1       -3.325  -1.792  -0.370  0.00  0.00    +0.009 A 
ATOM      4  C   LIG    1       -2.380  -2.796  -0.144  0.00  0.00    +0.005 A 
ATOM      5  C   LIG    1       -1.431  -2.666   0.879  0.00  0.00    -0.037 A 
ATOM      6  C   LIG    1       -1.446  -1.508   1.667  0.00  0.00    +0.005 A 
ATOM      7  C   LIG    1       -2.393  -0.505   1.440  0.00  0.00    +0.009 A 
BRANCH   2   9
ATOM      8  C   LIG    1       -5.706   0.278   0.511  0.00  0.00    +0.062 A 
ATOM      9  C   LIG    1       -4.339   0.426   0.185  0.00  0.00    -0.000 A 
ATOM     10  C   LIG    1       -3.914   1.643  -0.386  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1       -4.819   2.678  -0.629  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1       -6.156   2.506  -0.302  0.00  0.00    +0.125 A 
ATOM     13  F   LIG    1       -7.024   3.499  -0.535  0.00  0.00    -0.205 F 
ATOM     14  C   LIG    1       -6.609   1.322   0.264  0.00  0.00    +0.057 A 
BRANCH   8  16
ATOM     15  N   LIG    1       -6.651  -1.890   1.584  0.00  0.00    -0.191 NA
ATOM     16  C   LIG    1       -6.211  -0.927   1.109  0.00  0.00    +0.100 C 
ENDBRANCH   8  16
ENDBRANCH   2   9
ENDBRANCH   1   5
BRANCH   1  17
ATOM     17  S   LIG    1        0.947  -3.711  -0.094  0.00  0.00    -0.061 S 
BRANCH  17  18
ATOM     18  C   LIG    1        1.874  -2.364   0.487  0.00  0.00    +0.278 A 
ATOM     19  O   LIG    1        2.694  -1.630  -0.328  0.00  0.00    -0.411 OA
ATOM     20  C   LIG    1        3.209  -0.706   0.541  0.00  0.00    +0.249 A 
ATOM     21  N   LIG    1        2.758  -0.862   1.769  0.00  0.00    -0.106 NA
ATOM     22  N   LIG    1        1.901  -1.941   1.734  0.00  0.00    -0.101 NA
BRANCH  20  23
ATOM     23  C   LIG    1        4.142   0.276   0.003  0.00  0.00    +0.042 A 
ATOM     24  C   LIG    1        4.497   0.287  -1.357  0.00  0.00    +0.062 A 
ATOM     25  C   LIG    1        5.386   1.248  -1.793  0.00  0.00    +0.167 A 
ATOM     26  O   LIG    1        5.830   1.395  -3.070  0.00  0.00    -0.453 OA
ATOM     27  C   LIG    1        6.713   2.527  -2.923  0.00  0.00    +0.466 C 
ATOM     28  O   LIG    1        6.775   3.033  -1.573  0.00  0.00    -0.453 OA
ATOM     29  C   LIG    1        5.925   2.182  -0.941  0.00  0.00    +0.166 A 
ATOM     30  C   LIG    1        5.605   2.208   0.397  0.00  0.00    +0.050 A 
ATOM     31  C   LIG    1        4.705   1.245   0.869  0.00  0.00    +0.017 A 
ENDBRANCH  20  23
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 6