REMARK  Name = BDB028778
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -1.145  -1.658  -1.161  0.00  0.00    +0.008 S 
ATOM      2  O   LIG    1       -1.019  -1.706  -2.605  0.00  0.00    -0.169 OA
ATOM      3  O   LIG    1       -1.315  -2.905  -0.432  0.00  0.00    -0.169 OA
ENDROOT
BRANCH   1   4
ATOM      4  C   LIG    1       -2.512  -0.601  -0.728  0.00  0.00    +0.222 C 
ATOM      5  C   LIG    1       -2.236   0.836  -1.094  0.00  0.00    +0.244 C 
ATOM      6  O   LIG    1       -1.614   1.195  -2.088  0.00  0.00    -0.273 OA
ATOM      7  N   LIG    1       -2.814   1.794  -0.288  0.00  0.00    -0.255 N 
ATOM      8  H   LIG    1       -2.660   2.754  -0.570  0.00  0.00    +0.158 HD
ATOM      9  C   LIG    1       -3.752   1.615   0.698  0.00  0.00    +0.219 C 
ATOM     10  O   LIG    1       -4.337   2.568   1.202  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1       -4.070   0.186   1.057  0.00  0.00    +0.098 C 
ATOM     12  C   LIG    1       -2.892  -0.724   0.748  0.00  0.00    +0.045 C 
ENDBRANCH   1   4
BRANCH   1  16
ATOM     13  C   LIG    1        2.651   0.268   0.520  0.00  0.00    -0.048 A 
ATOM     14  C   LIG    1        2.257   0.516  -0.802  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1        1.099  -0.068  -1.318  0.00  0.00    +0.027 A 
ATOM     16  C   LIG    1        0.319  -0.891  -0.503  0.00  0.00    +0.089 A 
ATOM     17  C   LIG    1        0.719  -1.177   0.805  0.00  0.00    +0.027 A 
ATOM     18  C   LIG    1        1.879  -0.592   1.315  0.00  0.00    +0.005 A 
BRANCH  13  20
ATOM     19  C   LIG    1        5.128  -0.004   0.817  0.00  0.00    +0.009 C 
ATOM     20  C   LIG    1        3.916   0.881   1.065  0.00  0.00    +0.032 C 
ENDBRANCH  13  20
ENDBRANCH   1  16
TORSDOF 3