REMARK  Name = BDB028806
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -0.437   1.530   2.040  0.00  0.00    -0.075 S 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.693   0.553   1.179  0.00  0.00    +0.168 A 
ATOM      3  N   LIG    1        1.873   0.202   1.765  0.00  0.00    -0.333 N 
ATOM      4  H   LIG    1        2.161   0.459   2.696  0.00  0.00    +0.168 HD
ATOM      5  C   LIG    1        2.569  -0.568   0.869  0.00  0.00    +0.067 A 
ATOM      6  C   LIG    1        1.733  -0.635  -0.243  0.00  0.00    +0.090 A 
ATOM      7  C   LIG    1        2.148  -1.362  -1.368  0.00  0.00    +0.030 A 
ATOM      8  C   LIG    1        3.395  -1.999  -1.333  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1        4.212  -1.914  -0.202  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        3.816  -1.193   0.930  0.00  0.00    +0.028 A 
ATOM     11  N   LIG    1        0.571   0.069  -0.032  0.00  0.00    -0.222 NA
ENDBRANCH   1   2
BRANCH   1  18
ATOM     12  O   LIG    1       -3.977  -0.232  -2.210  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -3.328   0.228  -1.274  0.00  0.00    +0.219 C 
ATOM     14  N   LIG    1       -2.774  -0.591  -0.325  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -2.960  -1.578  -0.436  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -2.270  -0.218   0.899  0.00  0.00    +0.233 C 
ATOM     17  O   LIG    1       -2.169  -1.050   1.801  0.00  0.00    -0.274 OA
ATOM     18  C   LIG    1       -1.973   1.268   1.085  0.00  0.00    +0.141 C 
ATOM     19  C   LIG    1       -1.946   2.034  -0.237  0.00  0.00    +0.033 C 
ATOM     20  C   LIG    1       -3.196   1.713  -1.040  0.00  0.00    +0.098 C 
ENDBRANCH   1  18
TORSDOF 2