REMARK  Name = BDB036900
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.132  -0.517   1.497  0.00  0.00    +0.132 C 
ATOM      2  N   LIG    1       -0.213   0.013   0.117  0.00  0.00    -0.168 NA
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1       -1.587   0.333  -0.375  0.00  0.00    +0.166 C 
ATOM      4  C   LIG    1       -2.231   1.460   0.437  0.00  0.00    +0.238 C 
ATOM      5  O   LIG    1       -1.595   2.321   1.044  0.00  0.00    -0.274 OA
ATOM      6  N   LIG    1       -3.607   1.501   0.432  0.00  0.00    -0.255 N 
ATOM      7  H   LIG    1       -4.029   2.254   0.960  0.00  0.00    +0.158 HD
ATOM      8  C   LIG    1       -4.478   0.612  -0.145  0.00  0.00    +0.219 C 
ATOM      9  O   LIG    1       -5.692   0.761  -0.045  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -3.862  -0.508  -0.947  0.00  0.00    +0.098 C 
ATOM     11  C   LIG    1       -2.499  -0.894  -0.393  0.00  0.00    +0.039 C 
ENDBRANCH   2   3
BRANCH   2  12
ATOM     12  S   LIG    1        0.801  -0.754  -1.025  0.00  0.00    +0.064 S 
ATOM     13  O   LIG    1        0.582  -0.121  -2.308  0.00  0.00    -0.153 OA
ATOM     14  O   LIG    1        0.601  -2.175  -0.843  0.00  0.00    -0.153 OA
BRANCH  12  15
ATOM     15  C   LIG    1        2.415  -0.289  -0.496  0.00  0.00    +0.140 A 
ATOM     16  C   LIG    1        3.426  -1.235  -0.409  0.00  0.00    +0.150 A 
ATOM     17  F   LIG    1        3.225  -2.517  -0.739  0.00  0.00    -0.203 F 
ATOM     18  C   LIG    1        4.698  -0.859   0.019  0.00  0.00    +0.040 A 
ATOM     19  C   LIG    1        4.956   0.470   0.357  0.00  0.00    +0.003 A 
ATOM     20  C   LIG    1        3.942   1.425   0.263  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        2.668   1.049  -0.166  0.00  0.00    +0.031 A 
ENDBRANCH  12  15
ENDBRANCH   2  12
TORSDOF 3