REMARK  Name = BDB058742
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.253   1.002   0.532  0.00  0.00    +0.197 A 
ATOM      2  N   LIG    1        1.346  -0.040   0.388  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1        0.111   0.608   0.349  0.00  0.00    +0.186 A 
ATOM      4  N   LIG    1        0.290   1.911   0.430  0.00  0.00    -0.126 NA
ATOM      5  N   LIG    1        1.626   2.156   0.554  0.00  0.00    -0.122 NA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -1.199   0.019   0.346  0.00  0.00    +0.088 A 
ATOM      7  N   LIG    1       -2.274   0.503  -0.379  0.00  0.00    -0.334 N 
ATOM      8  C   LIG    1       -3.393  -0.289  -0.157  0.00  0.00    +0.050 A 
ATOM      9  C   LIG    1       -3.021  -1.280   0.752  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -3.977  -2.229   1.164  0.00  0.00    +0.010 A 
ATOM     11  C   LIG    1       -5.277  -2.163   0.654  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -5.631  -1.166  -0.249  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1       -4.699  -0.212  -0.669  0.00  0.00    +0.026 A 
ATOM     14  C   LIG    1       -1.656  -1.067   1.071  0.00  0.00    +0.039 A 
BRANCH   7  15
ATOM     15  C   LIG    1       -2.250   1.639  -1.303  0.00  0.00    +0.149 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -2.719   2.907  -0.651  0.00  0.00    -0.013 C 
ATOM     17  C   LIG    1       -3.759   3.643  -1.067  0.00  0.00    +0.005 C 
ENDBRANCH  15  16
ENDBRANCH   7  15
ENDBRANCH   3   6
BRANCH   2  18
ATOM     18  C   LIG    1        1.602  -1.435   0.256  0.00  0.00    +0.051 A 
ATOM     19  C   LIG    1        2.576  -2.061   1.044  0.00  0.00    +0.026 A 
ATOM     20  C   LIG    1        2.813  -3.431   0.910  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        2.081  -4.183  -0.007  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        1.109  -3.568  -0.792  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1        0.867  -2.198  -0.664  0.00  0.00    +0.026 A 
ENDBRANCH   2  18
BRANCH   1  24
ATOM     24  S   LIG    1        3.983   0.849   0.486  0.00  0.00    -0.082 S 
BRANCH  24  25
ATOM     25  C   LIG    1        4.482   2.583   0.638  0.00  0.00    +0.104 C 
BRANCH  25  27
ATOM     26  C   LIG    1        6.982   1.941   0.551  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1        5.971   2.815   0.659  0.00  0.00    -0.023 C 
ENDBRANCH  25  27
ENDBRANCH  24  25
ENDBRANCH   1  24
TORSDOF 7