REMARK  Name = BDB029516
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.685  -0.240  -2.008  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1       -0.581  -0.166  -1.454  0.00  0.00    -0.297 N 
ATOM      3  C   LIG    1       -0.909   0.165  -0.069  0.00  0.00    +0.124 C 
ATOM      4  C   LIG    1       -2.338  -0.357   0.151  0.00  0.00    +0.065 C 
ATOM      5  C   LIG    1       -2.337  -1.749   0.779  0.00  0.00    +0.227 C 
ATOM      6  O   LIG    1       -1.336  -2.449   0.900  0.00  0.00    -0.275 OA
ATOM      7  N   LIG    1       -3.556  -2.203   1.222  0.00  0.00    -0.256 N 
ATOM      8  H   LIG    1       -3.526  -3.125   1.639  0.00  0.00    +0.157 HD
ATOM      9  C   LIG    1       -4.545  -1.405   1.735  0.00  0.00    +0.219 C 
ATOM     10  O   LIG    1       -5.380  -1.853   2.514  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1       -4.560   0.032   1.273  0.00  0.00    +0.097 C 
ATOM     12  C   LIG    1       -3.147   0.562   1.072  0.00  0.00    +0.027 C 
ATOM     13  C   LIG    1       -2.905  -0.423  -1.281  0.00  0.00    +0.036 C 
ATOM     14  C   LIG    1       -1.697  -0.798  -2.125  0.00  0.00    +0.109 C 
ATOM     15  O   LIG    1        0.917  -0.770  -3.091  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  22
ATOM     16  C   LIG    1        5.948   0.788   0.979  0.00  0.00    +0.157 A 
ATOM     17  S   LIG    1        5.426  -0.698   0.303  0.00  0.00    -0.053 S 
ATOM     18  C   LIG    1        3.975   0.053  -0.235  0.00  0.00    +0.041 A 
ATOM     19  C   LIG    1        3.997   1.396   0.148  0.00  0.00    +0.080 A 
ATOM     20  C   LIG    1        2.905   2.221  -0.197  0.00  0.00    +0.029 A 
ATOM     21  C   LIG    1        1.823   1.685  -0.903  0.00  0.00    +0.015 A 
ATOM     22  C   LIG    1        1.818   0.335  -1.252  0.00  0.00    +0.038 A 
ATOM     23  C   LIG    1        2.898  -0.502  -0.944  0.00  0.00    +0.030 A 
ATOM     24  N   LIG    1        5.122   1.794   0.848  0.00  0.00    -0.225 NA
BRANCH  16  25
ATOM     25  N   LIG    1        7.127   0.889   1.616  0.00  0.00    -0.337 N 
ATOM     26  H   LIG    1        7.521   0.041   2.004  0.00  0.00    +0.144 HD
ATOM     27  H   LIG    1        7.219   1.698   2.221  0.00  0.00    +0.144 HD
ENDBRANCH  16  25
ENDBRANCH   1  22
TORSDOF 2