REMARK  Name = BDB049419
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.525  -0.864  -1.254  0.00  0.00    +0.173 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -2.010  -0.896  -1.574  0.00  0.00    +0.228 C 
ATOM      3  N   LIG    1       -2.798  -0.531  -0.496  0.00  0.00    -0.284 N 
ATOM      4  H   LIG    1       -2.303  -0.234   0.350  0.00  0.00    +0.155 HD
ATOM      5  O   LIG    1       -2.411  -1.217  -2.690  0.00  0.00    -0.275 OA
BRANCH   3   6
ATOM      6  C   LIG    1       -4.210  -0.455  -0.407  0.00  0.00    +0.044 A 
ATOM      7  C   LIG    1       -4.809  -0.007   0.798  0.00  0.00    +0.038 A 
ATOM      8  C   LIG    1       -6.211   0.067   0.891  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -7.015  -0.296  -0.189  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -6.430  -0.737  -1.369  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1       -5.039  -0.816  -1.476  0.00  0.00    +0.024 A 
BRANCH   7  12
ATOM     12  C   LIG    1       -3.966   0.390   1.979  0.00  0.00    +0.162 C 
ATOM     13  O   LIG    1       -2.737   0.328   1.913  0.00  0.00    -0.292 OA
ATOM     14  C   LIG    1       -4.637   0.866   3.242  0.00  0.00    +0.091 C 
ENDBRANCH   7  12
ENDBRANCH   3   6
ENDBRANCH   1   2
BRANCH   1  15
ATOM     15  S   LIG    1        0.089   0.837  -1.427  0.00  0.00    -0.079 S 
BRANCH  15  22
ATOM     16  C   LIG    1        5.960  -0.368   0.212  0.00  0.00    +0.122 A 
ATOM     17  C   LIG    1        4.695  -0.955   0.062  0.00  0.00    +0.075 A 
ATOM     18  C   LIG    1        3.622  -0.167  -0.374  0.00  0.00    +0.093 A 
ATOM     19  C   LIG    1        3.839   1.181  -0.647  0.00  0.00    +0.067 A 
ATOM     20  N   LIG    1        2.611   1.646  -1.041  0.00  0.00    -0.333 N 
ATOM     21  H   LIG    1        2.377   2.586  -1.321  0.00  0.00    +0.168 HD
ATOM     22  C   LIG    1        1.738   0.600  -0.992  0.00  0.00    +0.168 A 
ATOM     23  C   LIG    1        5.082   1.798  -0.509  0.00  0.00    +0.031 A 
ATOM     24  N   LIG    1        2.308  -0.509  -0.594  0.00  0.00    -0.222 NA
ATOM     25  C   LIG    1        6.143   0.990  -0.072  0.00  0.00    +0.048 A 
BRANCH  16  27
ATOM     26  C   LIG    1        8.241  -0.703   0.811  0.00  0.00    +0.277 C 
ATOM     27  O   LIG    1        6.932  -1.232   0.643  0.00  0.00    -0.495 OA
ENDBRANCH  16  27
ENDBRANCH  15  22
ENDBRANCH   1  15
TORSDOF 6