REMARK  Name = BDB049008
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.847  -0.446  -0.173  0.00  0.00    +0.084 A 
ATOM      2  N   LIG    1       -0.807   0.319   0.221  0.00  0.00    -0.214 NA
ATOM      3  C   LIG    1        0.426  -0.177   0.052  0.00  0.00    +0.220 A 
ATOM      4  N   LIG    1        0.663  -1.382  -0.485  0.00  0.00    -0.223 NA
ATOM      5  C   LIG    1       -0.397  -2.117  -0.863  0.00  0.00    +0.116 A 
ATOM      6  C   LIG    1       -1.693  -1.693  -0.731  0.00  0.00    +0.049 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1       -4.290  -0.093  -2.284  0.00  0.00    +0.067 C 
ATOM      8  C   LIG    1       -4.235   0.294  -0.849  0.00  0.00    +0.057 A 
ATOM      9  C   LIG    1       -3.167   0.148   0.025  0.00  0.00    +0.062 A 
ATOM     10  S   LIG    1       -3.599   0.798   1.557  0.00  0.00    -0.051 S 
ATOM     11  C   LIG    1       -5.147   1.203   0.951  0.00  0.00    +0.156 A 
ATOM     12  N   LIG    1       -5.366   0.878  -0.297  0.00  0.00    -0.230 NA
BRANCH  11  13
ATOM     13  N   LIG    1       -6.072   1.793   1.725  0.00  0.00    -0.338 N 
ATOM     14  H   LIG    1       -5.988   1.666   2.726  0.00  0.00    +0.144 HD
ATOM     15  H   LIG    1       -7.023   1.723   1.381  0.00  0.00    +0.144 HD
ENDBRANCH  11  13
ENDBRANCH   1   9
BRANCH   3  16
ATOM     16  N   LIG    1        1.456   0.657   0.475  0.00  0.00    -0.284 N 
ATOM     17  H   LIG    1        1.050   1.506   0.843  0.00  0.00    +0.155 HD
BRANCH  16  18
ATOM     18  C   LIG    1        2.851   0.552   0.494  0.00  0.00    +0.036 A 
ATOM     19  C   LIG    1        3.556  -0.563   0.027  0.00  0.00    +0.056 A 
ATOM     20  C   LIG    1        4.959  -0.592   0.079  0.00  0.00    +0.128 A 
ATOM     21  C   LIG    1        5.681   0.489   0.596  0.00  0.00    +0.033 A 
ATOM     22  C   LIG    1        4.991   1.603   1.062  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1        3.594   1.629   1.010  0.00  0.00    +0.023 A 
BRANCH  20  24
ATOM     24  N   LIG    1        5.680  -1.772  -0.417  0.00  0.00    +0.056 N 
ATOM     25  O   LIG    1        6.918  -1.759  -0.348  0.00  0.00    -0.126 OA
ATOM     26  O   LIG    1        5.016  -2.712  -0.874  0.00  0.00    -0.126 OA
ENDBRANCH  20  24
ENDBRANCH  16  18
ENDBRANCH   3  16
TORSDOF 5