REMARK  Name = BDB046995
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.335   1.078   0.543  0.00  0.00    -0.264 N 
ATOM      2  H   LIG    1        0.763   0.193   0.768  0.00  0.00    +0.157 HD
ATOM      3  C   LIG    1        0.993   2.262   0.793  0.00  0.00    +0.223 C 
ATOM      4  O   LIG    1        0.595   3.392   0.521  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -2.836   0.065  -1.127  0.00  0.00    +0.014 A 
ATOM      6  S   LIG    1       -1.435  -0.570  -0.354  0.00  0.00    -0.057 S 
ATOM      7  C   LIG    1       -0.868   1.020  -0.101  0.00  0.00    +0.165 A 
ATOM      8  N   LIG    1       -1.631   1.986  -0.538  0.00  0.00    -0.233 NA
ATOM      9  C   LIG    1       -2.756   1.446  -1.126  0.00  0.00    +0.124 A 
BRANCH   5  11
ATOM     10  C   LIG    1       -3.426  -1.699  -2.822  0.00  0.00    +0.013 C 
ATOM     11  C   LIG    1       -3.930  -0.806  -1.688  0.00  0.00    +0.021 C 
ATOM     12  C   LIG    1       -4.620  -1.631  -0.602  0.00  0.00    +0.013 C 
ENDBRANCH   5  11
ENDBRANCH   1   7
BRANCH   3  13
ATOM     13  C   LIG    1        2.307   2.088   1.547  0.00  0.00    +0.131 C 
BRANCH  13  14
ATOM     14  C   LIG    1        3.131   0.892   1.125  0.00  0.00    -0.039 A 
ATOM     15  C   LIG    1        3.674   0.828  -0.166  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1        4.412  -0.286  -0.566  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        4.618  -1.342   0.319  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        4.089  -1.284   1.607  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        3.349  -0.172   2.011  0.00  0.00    +0.004 A 
ENDBRANCH  13  14
ENDBRANCH   3  13
TORSDOF 4