REMARK  Name = BDB065331
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -0.030   1.248  -1.708  0.00  0.00    +0.059 S 
ATOM      2  O   LIG    1       -0.344   1.206  -3.118  0.00  0.00    -0.153 OA
ATOM      3  O   LIG    1        0.671   2.362  -1.108  0.00  0.00    -0.153 OA
ENDROOT
BRANCH   1   4
ATOM      4  C   LIG    1       -1.531   0.978  -0.803  0.00  0.00    +0.106 A 
ATOM      5  C   LIG    1       -2.466   0.064  -1.299  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1       -3.659  -0.170  -0.598  0.00  0.00    -0.016 A 
ATOM      7  C   LIG    1       -3.908   0.534   0.605  0.00  0.00    -0.018 A 
ATOM      8  C   LIG    1       -5.102   0.296   1.303  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1       -6.038  -0.621   0.823  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -5.793  -1.312  -0.360  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -2.960   1.459   1.075  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1       -4.612  -1.087  -1.068  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1       -1.775   1.686   0.373  0.00  0.00    +0.029 A 
ENDBRANCH   1   4
BRANCH   1  14
ATOM     14  N   LIG    1        0.854  -0.127  -1.369  0.00  0.00    -0.182 NA
ATOM     15  H   LIG    1        0.708  -0.909  -2.009  0.00  0.00    +0.148 HD
BRANCH  14  16
ATOM     16  C   LIG    1        1.193  -0.436   0.018  0.00  0.00    +0.185 C 
BRANCH  16  18
ATOM     17  O   LIG    1        2.323  -2.538  -0.189  0.00  0.00    -0.291 OA
ATOM     18  C   LIG    1        2.420  -1.326   0.007  0.00  0.00    +0.179 C 
BRANCH  18  19
ATOM     19  C   LIG    1        3.767  -0.722   0.211  0.00  0.00    +0.021 A 
ATOM     20  C   LIG    1        4.017   0.637  -0.002  0.00  0.00    +0.049 A 
ATOM     21  C   LIG    1        5.301   1.134   0.206  0.00  0.00    +0.124 A 
ATOM     22  F   LIG    1        5.540   2.436   0.005  0.00  0.00    -0.205 F 
ATOM     23  C   LIG    1        6.341   0.307   0.616  0.00  0.00    +0.038 A 
ATOM     24  C   LIG    1        6.100  -1.050   0.817  0.00  0.00    +0.003 A 
ATOM     25  C   LIG    1        4.817  -1.564   0.612  0.00  0.00    +0.011 A 
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH  14  16
ENDBRANCH   1  14
TORSDOF 5