REMARK  Name = BDB031659
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.084   2.703  -0.060  0.00  0.00    -0.214 N 
ATOM      2  H   LIG    1        0.426   3.289   0.697  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1  10
ATOM      3  C   LIG    1        3.182  -1.749  -2.021  0.00  0.00    +0.044 C 
ATOM      4  C   LIG    1        2.392  -0.599  -1.454  0.00  0.00    -0.040 A 
ATOM      5  C   LIG    1        2.199  -0.397  -0.060  0.00  0.00    +0.022 A 
ATOM      6  C   LIG    1        1.443   0.703   0.369  0.00  0.00    +0.071 A 
ATOM      7  N   LIG    1        1.407   0.661   1.746  0.00  0.00    -0.358 N 
ATOM      8  H   LIG    1        0.919   1.330   2.325  0.00  0.00    +0.165 HD
ATOM      9  C   LIG    1        2.105  -0.417   2.212  0.00  0.00    +0.102 A 
ATOM     10  C   LIG    1        0.862   1.613  -0.523  0.00  0.00    +0.072 A 
ATOM     11  C   LIG    1        1.057   1.406  -1.885  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1        2.609  -1.093   1.121  0.00  0.00    +0.077 A 
ATOM     13  C   LIG    1        1.806   0.324  -2.342  0.00  0.00    +0.006 A 
BRANCH  12  14
ATOM     14  C   LIG    1        3.396  -2.284   1.209  0.00  0.00    +0.101 C 
ATOM     15  N   LIG    1        4.033  -3.251   1.287  0.00  0.00    -0.191 NA
ENDBRANCH  12  14
ENDBRANCH   1  10
BRANCH   1  16
ATOM     16  S   LIG    1       -1.577   2.748  -0.313  0.00  0.00    +0.073 S 
ATOM     17  O   LIG    1       -2.061   3.862   0.476  0.00  0.00    -0.150 OA
ATOM     18  O   LIG    1       -1.847   2.670  -1.726  0.00  0.00    -0.150 OA
BRANCH  16  19
ATOM     19  C   LIG    1       -2.136   1.261   0.508  0.00  0.00    +0.120 A 
ATOM     20  C   LIG    1       -2.606   0.121  -0.169  0.00  0.00    +0.081 A 
ATOM     21  C   LIG    1       -2.985  -0.992   0.614  0.00  0.00    +0.014 A 
ATOM     22  C   LIG    1       -2.921  -0.965   2.009  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -2.489   0.182   2.662  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -2.103   1.293   1.917  0.00  0.00    +0.029 A 
BRANCH  20  25
ATOM     25  C   LIG    1       -2.761   0.024  -1.670  0.00  0.00    +0.419 C 
ATOM     26  F   LIG    1       -1.600   0.186  -2.351  0.00  0.00    -0.166 F 
ATOM     27  F   LIG    1       -3.670   0.903  -2.167  0.00  0.00    -0.166 F 
ATOM     28  F   LIG    1       -3.220  -1.204  -2.062  0.00  0.00    -0.166 F 
ENDBRANCH  20  25
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 5