REMARK  Name = BDB031665
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.186   1.425   0.638  0.00  0.00    -0.214 N 
ATOM      2  H   LIG    1       -0.545   2.325   0.960  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -1.131   0.380   0.440  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1       -2.287   0.573  -0.301  0.00  0.00    +0.060 A 
ATOM      5  N   LIG    1       -2.726   1.728  -0.937  0.00  0.00    -0.283 N 
ATOM      6  H   LIG    1       -2.222   2.600  -0.999  0.00  0.00    +0.155 HD
ATOM      7  C   LIG    1       -3.930   1.517  -1.596  0.00  0.00    +0.222 C 
ATOM      8  C   LIG    1       -4.343   0.061  -1.351  0.00  0.00    +0.133 C 
ATOM      9  O   LIG    1       -4.543   2.348  -2.244  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -3.208  -0.452  -0.518  0.00  0.00    -0.013 A 
ATOM     11  C   LIG    1       -2.987  -1.716  -0.004  0.00  0.00    +0.044 A 
ATOM     12  C   LIG    1       -1.817  -1.921   0.729  0.00  0.00    +0.126 A 
ATOM     13  F   LIG    1       -1.570  -3.137   1.235  0.00  0.00    -0.205 F 
ATOM     14  C   LIG    1       -0.889  -0.893   0.952  0.00  0.00    +0.064 A 
ENDBRANCH   1   3
BRANCH   1  15
ATOM     15  S   LIG    1        1.002   1.640  -0.544  0.00  0.00    +0.072 S 
ATOM     16  O   LIG    1        1.568   2.950  -0.305  0.00  0.00    -0.150 OA
ATOM     17  O   LIG    1        0.464   1.280  -1.837  0.00  0.00    -0.150 OA
BRANCH  15  20
ATOM     18  C   LIG    1        4.043  -0.217   1.370  0.00  0.00    +0.054 A 
ATOM     19  C   LIG    1        3.072   0.719   1.004  0.00  0.00    +0.047 A 
ATOM     20  C   LIG    1        2.224   0.443  -0.075  0.00  0.00    +0.110 A 
ATOM     21  C   LIG    1        2.352  -0.744  -0.802  0.00  0.00    +0.029 A 
ATOM     22  C   LIG    1        3.322  -1.675  -0.433  0.00  0.00    +0.003 A 
ATOM     23  C   LIG    1        4.164  -1.414   0.651  0.00  0.00    +0.019 A 
BRANCH  18  25
ATOM     24  N   LIG    1        5.612   0.254   3.382  0.00  0.00    -0.191 NA
ATOM     25  C   LIG    1        4.913   0.045   2.479  0.00  0.00    +0.099 C 
ENDBRANCH  18  25
ENDBRANCH  15  20
ENDBRANCH   1  15
TORSDOF 4