REMARK  Name = BDB034916
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.819  -1.930  -0.406  0.00  0.00    -0.155 NA
ATOM      2  C   LIG    1       -0.232  -1.820   0.314  0.00  0.00    +0.150 C 
ATOM      3  N   LIG    1       -1.297  -0.945   0.461  0.00  0.00    -0.308 N 
ATOM      4  C   LIG    1       -2.403  -1.501   1.253  0.00  0.00    +0.118 C 
ATOM      5  C   LIG    1       -1.778  -2.356   2.341  0.00  0.00    +0.096 C 
ATOM      6  S   LIG    1       -0.392  -3.151   1.500  0.00  0.00    -0.091 S 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.535   0.261  -0.337  0.00  0.00    +0.078 C 
ATOM      8  C   LIG    1       -2.533   0.018  -1.481  0.00  0.00    +0.053 C 
ATOM      9  C   LIG    1       -3.359   1.294  -1.545  0.00  0.00    +0.116 C 
ATOM     10  C   LIG    1       -3.493   1.699  -0.085  0.00  0.00    +0.033 C 
ATOM     11  C   LIG    1       -2.105   1.430   0.490  0.00  0.00    +0.025 C 
BRANCH   9  12
ATOM     12  O   LIG    1       -2.650   2.306  -2.249  0.00  0.00    -0.392 OA
ATOM     13  H   LIG    1       -2.514   1.990  -3.161  0.00  0.00    +0.210 HD
ENDBRANCH   9  12
ENDBRANCH   3   7
BRANCH   1  15
ATOM     14  O   LIG    1        0.431  -0.944  -2.431  0.00  0.00    -0.268 OA
ATOM     15  C   LIG    1        1.072  -1.028  -1.388  0.00  0.00    +0.271 C 
BRANCH  15  16
ATOM     16  C   LIG    1        2.218  -0.164  -1.101  0.00  0.00    +0.065 A 
ATOM     17  C   LIG    1        3.158  -0.189  -0.014  0.00  0.00    +0.031 A 
ATOM     18  C   LIG    1        4.039   0.872  -0.211  0.00  0.00    +0.139 A 
ATOM     19  N   LIG    1        5.079   1.238   0.561  0.00  0.00    -0.237 NA
ATOM     20  C   LIG    1        5.241   0.438   1.639  0.00  0.00    +0.113 A 
ATOM     21  C   LIG    1        4.450  -0.654   1.961  0.00  0.00    +0.020 A 
ATOM     22  N   LIG    1        3.682   1.516  -1.360  0.00  0.00    -0.345 N 
ATOM     23  H   LIG    1        4.173   2.318  -1.725  0.00  0.00    +0.167 HD
ATOM     24  C   LIG    1        3.383  -0.986   1.125  0.00  0.00    +0.014 A 
ATOM     25  C   LIG    1        2.589   0.905  -1.911  0.00  0.00    +0.098 A 
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 4