REMARK  Name = BDB036879
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.529  -1.018  -1.247  0.00  0.00    -0.178 NA
ATOM      2  H   LIG    1       -0.403  -0.483  -2.112  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   1   9
ATOM      3  O   LIG    1       -4.333   2.065   1.115  0.00  0.00    -0.275 OA
ATOM      4  C   LIG    1       -3.385   1.355   0.795  0.00  0.00    +0.219 C 
ATOM      5  N   LIG    1       -2.307   1.879   0.126  0.00  0.00    -0.255 N 
ATOM      6  H   LIG    1       -2.408   2.846  -0.154  0.00  0.00    +0.158 HD
ATOM      7  C   LIG    1       -1.341   1.166  -0.539  0.00  0.00    +0.238 C 
ATOM      8  O   LIG    1       -0.642   1.691  -1.407  0.00  0.00    -0.274 OA
ATOM      9  C   LIG    1       -1.200  -0.302  -0.147  0.00  0.00    +0.163 C 
ATOM     10  C   LIG    1       -2.583  -0.901   0.067  0.00  0.00    +0.039 C 
ATOM     11  C   LIG    1       -3.315  -0.114   1.143  0.00  0.00    +0.098 C 
ENDBRANCH   1   9
BRANCH   1  12
ATOM     12  S   LIG    1        0.803  -1.972  -0.883  0.00  0.00    +0.059 S 
ATOM     13  O   LIG    1        1.325  -2.464  -2.137  0.00  0.00    -0.153 OA
ATOM     14  O   LIG    1        0.406  -2.857   0.190  0.00  0.00    -0.153 OA
BRANCH  12  15
ATOM     15  C   LIG    1        1.970  -0.801  -0.236  0.00  0.00    +0.105 A 
ATOM     16  C   LIG    1        2.381  -0.887   1.098  0.00  0.00    +0.028 A 
ATOM     17  C   LIG    1        3.290   0.046   1.596  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1        3.787   1.051   0.764  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        3.381   1.125  -0.570  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        2.474   0.196  -1.077  0.00  0.00    +0.028 A 
ENDBRANCH  12  15
ENDBRANCH   1  12
TORSDOF 3