REMARK  Name = BDB034874
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.253   0.171  -0.449  0.00  0.00    -0.152 NA
ATOM      2  C   LIG    1       -0.900  -0.953  -0.462  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1       -2.241  -1.012  -0.022  0.00  0.00    -0.258 N 
ATOM      4  C   LIG    1       -2.894  -2.191   0.366  0.00  0.00    +0.258 A 
ATOM      5  O   LIG    1       -4.107  -2.338   0.521  0.00  0.00    -0.267 OA
ATOM      6  C   LIG    1       -2.062  -3.380   0.652  0.00  0.00    +0.078 A 
ATOM      7  C   LIG    1       -0.869  -3.585   0.105  0.00  0.00    +0.054 A 
ATOM      8  S   LIG    1       -0.169  -2.469  -0.981  0.00  0.00    -0.061 S 
ENDROOT
BRANCH   3   9
ATOM      9  C   LIG    1       -3.022   0.214  -0.002  0.00  0.00    +0.052 A 
ATOM     10  C   LIG    1       -2.844   1.211  -0.978  0.00  0.00    +0.026 A 
ATOM     11  C   LIG    1       -3.596   2.391  -0.958  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -4.546   2.597   0.037  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -4.746   1.622   1.009  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1       -3.994   0.443   0.988  0.00  0.00    +0.026 A 
ENDBRANCH   3   9
BRANCH   1  16
ATOM     15  O   LIG    1        1.336   0.161  -2.096  0.00  0.00    -0.268 OA
ATOM     16  C   LIG    1        1.033   0.212  -0.911  0.00  0.00    +0.272 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.015   0.369   0.162  0.00  0.00    +0.065 A 
ATOM     18  C   LIG    1        3.443   0.369   0.030  0.00  0.00    +0.031 A 
ATOM     19  C   LIG    1        3.975   0.543   1.302  0.00  0.00    +0.139 A 
ATOM     20  N   LIG    1        5.273   0.601   1.652  0.00  0.00    -0.237 NA
ATOM     21  C   LIG    1        6.107   0.469   0.596  0.00  0.00    +0.113 A 
ATOM     22  C   LIG    1        5.720   0.290  -0.725  0.00  0.00    +0.020 A 
ATOM     23  N   LIG    1        2.938   0.656   2.184  0.00  0.00    -0.345 N 
ATOM     24  H   LIG    1        3.064   0.801   3.175  0.00  0.00    +0.167 HD
ATOM     25  C   LIG    1        4.359   0.236  -1.029  0.00  0.00    +0.014 A 
ATOM     26  C   LIG    1        1.748   0.548   1.515  0.00  0.00    +0.098 A 
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 3