REMARK  Name = BDB049485
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.020   0.737   1.054  0.00  0.00    +0.162 A 
ATOM      2  C   LIG    1       -2.543   0.330  -0.206  0.00  0.00    +0.162 A 
ATOM      3  C   LIG    1       -1.177   0.062  -0.375  0.00  0.00    +0.060 A 
ATOM      4  C   LIG    1       -0.262   0.189   0.687  0.00  0.00    +0.011 A 
ATOM      5  C   LIG    1       -0.760   0.596   1.933  0.00  0.00    +0.014 A 
ATOM      6  C   LIG    1       -2.122   0.867   2.115  0.00  0.00    +0.050 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        1.165  -0.111   0.433  0.00  0.00    +0.110 A 
ATOM      8  S   LIG    1        2.362  -0.002   1.669  0.00  0.00    -0.067 S 
ATOM      9  C   LIG    1        3.583  -0.481   0.559  0.00  0.00    +0.040 A 
ATOM     10  C   LIG    1        2.999  -0.696  -0.689  0.00  0.00    +0.082 A 
ATOM     11  C   LIG    1        3.813  -1.100  -1.764  0.00  0.00    +0.067 A 
ATOM     12  C   LIG    1        5.178  -1.273  -1.548  0.00  0.00    +0.125 A 
ATOM     13  C   LIG    1        5.750  -1.057  -0.303  0.00  0.00    +0.039 A 
ATOM     14  F   LIG    1        5.957  -1.657  -2.568  0.00  0.00    -0.205 F 
ATOM     15  C   LIG    1        4.961  -0.656   0.778  0.00  0.00    +0.020 A 
ATOM     16  N   LIG    1        1.633  -0.483  -0.744  0.00  0.00    -0.239 NA
ENDBRANCH   4   7
BRANCH   1  18
ATOM     17  C   LIG    1       -4.884   1.393   2.398  0.00  0.00    +0.277 C 
ATOM     18  O   LIG    1       -4.367   0.980   1.141  0.00  0.00    -0.491 OA
ENDBRANCH   1  18
BRANCH   2  19
ATOM     19  O   LIG    1       -3.483   0.224  -1.201  0.00  0.00    -0.491 OA
ATOM     20  C   LIG    1       -3.040  -0.183  -2.488  0.00  0.00    +0.277 C 
ENDBRANCH   2  19
TORSDOF 3