REMARK  Name = BDB036910
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.691  -0.498  -0.142  0.00  0.00    -0.168 NA
ATOM      2  C   LIG    1        0.480  -0.521  -1.617  0.00  0.00    +0.132 C 
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        1.984  -1.123   0.316  0.00  0.00    +0.166 C 
ATOM      4  C   LIG    1        3.035  -1.314  -0.775  0.00  0.00    +0.238 C 
ATOM      5  O   LIG    1        3.033  -2.276  -1.541  0.00  0.00    -0.274 OA
ATOM      6  N   LIG    1        3.954  -0.305  -0.945  0.00  0.00    -0.255 N 
ATOM      7  H   LIG    1        4.595  -0.416  -1.719  0.00  0.00    +0.158 HD
ATOM      8  C   LIG    1        4.017   0.894  -0.282  0.00  0.00    +0.219 C 
ATOM      9  O   LIG    1        4.785   1.778  -0.650  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1        3.061   1.082   0.867  0.00  0.00    +0.098 C 
ATOM     11  C   LIG    1        2.602  -0.259   1.424  0.00  0.00    +0.039 C 
ENDBRANCH   1   3
BRANCH   1  12
ATOM     12  S   LIG    1       -0.675  -1.104   0.733  0.00  0.00    +0.062 S 
ATOM     13  O   LIG    1       -0.371  -1.033   2.146  0.00  0.00    -0.153 OA
ATOM     14  O   LIG    1       -1.026  -2.359   0.107  0.00  0.00    -0.153 OA
BRANCH  12  17
ATOM     15  C   LIG    1       -3.694  -1.568  -0.342  0.00  0.00    +0.046 C 
ATOM     16  C   LIG    1       -3.210  -0.172  -0.070  0.00  0.00    -0.024 A 
ATOM     17  C   LIG    1       -1.925   0.131   0.413  0.00  0.00    +0.108 A 
ATOM     18  C   LIG    1       -1.556   1.464   0.674  0.00  0.00    +0.029 A 
ATOM     19  C   LIG    1       -2.451   2.503   0.432  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1       -3.717   2.218  -0.067  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -4.093   0.896  -0.314  0.00  0.00    +0.005 A 
ENDBRANCH  12  17
ENDBRANCH   1  12
TORSDOF 3