REMARK  Name = BDB036886
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.110   1.209  -0.295  0.00  0.00    -0.178 NA
ATOM      2  H   LIG    1       -0.249   2.207  -0.494  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   1   9
ATOM      3  O   LIG    1       -5.119   0.597   1.738  0.00  0.00    -0.275 OA
ATOM      4  C   LIG    1       -3.997   0.451   1.263  0.00  0.00    +0.219 C 
ATOM      5  N   LIG    1       -3.767   0.622  -0.078  0.00  0.00    -0.255 N 
ATOM      6  H   LIG    1       -4.566   0.990  -0.578  0.00  0.00    +0.158 HD
ATOM      7  C   LIG    1       -2.557   1.021  -0.591  0.00  0.00    +0.238 C 
ATOM      8  O   LIG    1       -2.496   1.801  -1.538  0.00  0.00    -0.274 OA
ATOM      9  C   LIG    1       -1.330   0.505   0.159  0.00  0.00    +0.163 C 
ATOM     10  C   LIG    1       -1.541   0.778   1.644  0.00  0.00    +0.039 C 
ATOM     11  C   LIG    1       -2.804   0.065   2.110  0.00  0.00    +0.098 C 
ENDBRANCH   1   9
BRANCH   1  12
ATOM     12  S   LIG    1        0.672   0.538  -1.649  0.00  0.00    +0.060 S 
ATOM     13  O   LIG    1        1.224   1.666  -2.362  0.00  0.00    -0.153 OA
ATOM     14  O   LIG    1       -0.240  -0.416  -2.239  0.00  0.00    -0.153 OA
BRANCH  12  15
ATOM     15  C   LIG    1        2.037  -0.353  -0.959  0.00  0.00    +0.123 A 
ATOM     16  C   LIG    1        2.814  -1.178  -1.777  0.00  0.00    +0.067 A 
ATOM     17 CL   LIG    1        2.557  -1.365  -3.474  0.00  0.00    -0.082 Cl
ATOM     18  C   LIG    1        3.882  -1.891  -1.219  0.00  0.00    +0.022 A 
ATOM     19  C   LIG    1        4.176  -1.780   0.141  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        3.408  -0.949   0.952  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        2.341  -0.234   0.406  0.00  0.00    +0.030 A 
ENDBRANCH  12  15
ENDBRANCH   1  12
TORSDOF 3