REMARK  Name = BDB049759
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  F   LIG    1       -0.967  -2.186  -1.427  0.00  0.00    -0.204 F 
ATOM      2  C   LIG    1       -0.487  -1.175  -0.682  0.00  0.00    +0.145 A 
ATOM      3  C   LIG    1       -1.391  -0.288  -0.078  0.00  0.00    +0.068 A 
ATOM      4  C   LIG    1       -0.848   0.744   0.685  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1        0.543   0.883   0.837  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1        1.439  -0.010   0.228  0.00  0.00    +0.010 A 
ATOM      7  C   LIG    1        0.893  -1.048  -0.539  0.00  0.00    +0.050 A 
ENDROOT
BRANCH   6   8
ATOM      8  C   LIG    1        2.909   0.085   0.351  0.00  0.00    +0.110 A 
ATOM      9  S   LIG    1        3.675   1.324   1.272  0.00  0.00    -0.067 S 
ATOM     10  C   LIG    1        5.222   0.691   0.874  0.00  0.00    +0.040 A 
ATOM     11  C   LIG    1        5.054  -0.430   0.062  0.00  0.00    +0.079 A 
ATOM     12  C   LIG    1        6.199  -1.117  -0.390  0.00  0.00    +0.029 A 
ATOM     13  C   LIG    1        7.471  -0.669  -0.020  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1        7.614   0.451   0.791  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        6.494   1.150   1.252  0.00  0.00    +0.017 A 
ATOM     16  N   LIG    1        3.742  -0.760  -0.225  0.00  0.00    -0.239 NA
ENDBRANCH   6   8
BRANCH   3  17
ATOM     17  N   LIG    1       -2.767  -0.493  -0.277  0.00  0.00    -0.296 N 
ATOM     18  H   LIG    1       -2.971  -1.298  -0.864  0.00  0.00    +0.154 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -3.911   0.181   0.165  0.00  0.00    +0.141 A 
ATOM     20  C   LIG    1       -5.194  -0.260  -0.201  0.00  0.00    +0.078 A 
ATOM     21  C   LIG    1       -6.314   0.429   0.253  0.00  0.00    +0.083 A 
ATOM     22  C   LIG    1       -7.532  -0.151  -0.210  0.00  0.00    +0.036 A 
ATOM     23  C   LIG    1       -7.320  -1.259  -0.998  0.00  0.00    +0.048 A 
ATOM     24  N   LIG    1       -6.229   1.524   1.044  0.00  0.00    -0.235 NA
ATOM     25  C   LIG    1       -4.978   1.877   1.345  0.00  0.00    +0.224 A 
ATOM     26  S   LIG    1       -5.657  -1.601  -1.183  0.00  0.00    -0.092 S 
ATOM     27  N   LIG    1       -3.843   1.277   0.956  0.00  0.00    -0.219 NA
ENDBRANCH  17  19
ENDBRANCH   3  17
TORSDOF 3