REMARK  Name = BDB028799
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -0.672   1.708  -0.795  0.00  0.00    -0.112 S 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.736   0.274  -0.386  0.00  0.00    +0.138 C 
ATOM      3  C   LIG    1       -2.529   0.528   0.896  0.00  0.00    +0.233 C 
ATOM      4  O   LIG    1       -2.100   1.132   1.877  0.00  0.00    -0.274 OA
ATOM      5  N   LIG    1       -3.783  -0.040   0.953  0.00  0.00    -0.255 N 
ATOM      6  H   LIG    1       -4.289   0.101   1.817  0.00  0.00    +0.158 HD
ATOM      7  C   LIG    1       -4.386  -0.859   0.032  0.00  0.00    +0.219 C 
ATOM      8  O   LIG    1       -5.463  -1.396   0.269  0.00  0.00    -0.275 OA
ATOM      9  C   LIG    1       -3.616  -1.118  -1.239  0.00  0.00    +0.098 C 
ATOM     10  C   LIG    1       -2.687   0.043  -1.560  0.00  0.00    +0.033 C 
ENDBRANCH   1   2
BRANCH   1  13
ATOM     11  C   LIG    1        2.930  -0.014  -0.002  0.00  0.00    +0.121 A 
ATOM     12  C   LIG    1        1.751   0.392  -0.635  0.00  0.00    +0.060 A 
ATOM     13  C   LIG    1        0.825   1.202   0.029  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        1.090   1.621   1.332  0.00  0.00    +0.015 A 
ATOM     15  C   LIG    1        2.264   1.219   1.970  0.00  0.00    +0.005 A 
ATOM     16  C   LIG    1        3.183   0.402   1.306  0.00  0.00    +0.046 A 
BRANCH  11  18
ATOM     17  C   LIG    1        4.978  -1.209  -0.183  0.00  0.00    +0.277 C 
ATOM     18  O   LIG    1        3.742  -0.810  -0.763  0.00  0.00    -0.495 OA
ENDBRANCH  11  18
ENDBRANCH   1  13
TORSDOF 3