REMARK  Name = BDB060476
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.071   1.316   1.853  0.00  0.00    -0.216 N 
ATOM      2  H   LIG    1       -0.047   2.321   1.740  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1   6
ATOM      3  C   LIG    1        3.000  -0.591  -0.528  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1        2.349   0.561  -0.977  0.00  0.00    +0.024 A 
ATOM      5  C   LIG    1        1.401   1.205  -0.175  0.00  0.00    +0.026 A 
ATOM      6  C   LIG    1        1.066   0.672   1.068  0.00  0.00    +0.048 A 
ATOM      7  C   LIG    1        1.668  -0.506   1.502  0.00  0.00    +0.026 A 
ATOM      8  C   LIG    1        2.615  -1.144   0.695  0.00  0.00    +0.024 A 
BRANCH   3   9
ATOM      9  N   LIG    1        3.853  -1.296  -1.383  0.00  0.00    -0.358 N 
ATOM     10  H   LIG    1        4.498  -1.916  -0.902  0.00  0.00    +0.142 HD
ATOM     11  H   LIG    1        4.320  -0.717  -2.073  0.00  0.00    +0.142 HD
ENDBRANCH   3   9
ENDBRANCH   1   6
BRANCH   1  12
ATOM     12  S   LIG    1       -1.406   0.538   2.117  0.00  0.00    +0.072 S 
ATOM     13  O   LIG    1       -1.179  -0.724   2.787  0.00  0.00    -0.150 OA
ATOM     14  O   LIG    1       -2.285   1.539   2.687  0.00  0.00    -0.150 OA
BRANCH  12  15
ATOM     15  C   LIG    1       -1.983   0.198   0.469  0.00  0.00    +0.108 A 
ATOM     16  C   LIG    1       -2.735   1.162  -0.210  0.00  0.00    +0.029 A 
ATOM     17  C   LIG    1       -3.196   0.890  -1.498  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1       -2.915  -0.340  -2.096  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -2.179  -1.306  -1.407  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1       -1.716  -1.043  -0.118  0.00  0.00    +0.029 A 
ENDBRANCH  12  15
ENDBRANCH   1  12
TORSDOF 4