REMARK  Name = BDB033488
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.409  -2.135   0.768  0.00  0.00    -0.212 N 
ATOM      2  H   LIG    1       -1.072  -2.882   0.977  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -0.941  -0.824   0.962  0.00  0.00    +0.075 A 
ATOM      4  C   LIG    1       -1.951  -0.245   0.175  0.00  0.00    +0.071 A 
ATOM      5  C   LIG    1       -2.517   1.001   0.481  0.00  0.00    +0.023 A 
ATOM      6  C   LIG    1       -3.495   1.272  -0.517  0.00  0.00    +0.066 A 
ATOM      7  C   LIG    1       -3.505   0.219  -1.399  0.00  0.00    +0.103 A 
ATOM      8 CL   LIG    1       -4.468   2.663  -0.600  0.00  0.00    -0.081 Cl
ATOM      9  C   LIG    1       -2.058   1.693   1.619  0.00  0.00    +0.050 A 
ATOM     10  C   LIG    1       -1.070   1.110   2.409  0.00  0.00    +0.126 A 
ATOM     11  F   LIG    1       -0.644   1.758   3.501  0.00  0.00    -0.205 F 
ATOM     12  N   LIG    1       -2.571  -0.687  -0.976  0.00  0.00    -0.358 N 
ATOM     13  H   LIG    1       -2.305  -1.531  -1.475  0.00  0.00    +0.165 HD
ATOM     14  C   LIG    1       -0.528  -0.129   2.101  0.00  0.00    +0.065 A 
ENDBRANCH   1   3
BRANCH   1  16
ATOM     15  O   LIG    1        1.055  -3.759  -0.481  0.00  0.00    -0.148 OA
ATOM     16  S   LIG    1        0.408  -2.478  -0.677  0.00  0.00    +0.096 S 
ATOM     17  O   LIG    1       -0.535  -2.296  -1.766  0.00  0.00    -0.148 OA
BRANCH  16  18
ATOM     18  C   LIG    1        1.716  -1.297  -0.932  0.00  0.00    +0.236 A 
ATOM     19  S   LIG    1        2.614  -1.421  -2.380  0.00  0.00    -0.055 S 
ATOM     20  C   LIG    1        3.552  -0.069  -1.895  0.00  0.00    +0.081 A 
ATOM     21  C   LIG    1        3.133   0.401  -0.658  0.00  0.00    +0.153 A 
ATOM     22  N   LIG    1        2.066  -0.324  -0.111  0.00  0.00    -0.216 NA
BRANCH  21  23
ATOM     23  C   LIG    1        3.721   1.574   0.077  0.00  0.00    +0.435 C 
ATOM     24  F   LIG    1        2.840   2.600   0.185  0.00  0.00    -0.164 F 
ATOM     25  F   LIG    1        4.819   2.069  -0.556  0.00  0.00    -0.164 F 
ATOM     26  F   LIG    1        4.114   1.246   1.335  0.00  0.00    -0.164 F 
ENDBRANCH  21  23
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 4