REMARK  Name = BDB060979
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.065   0.155  -0.121  0.00  0.00    +0.025 A 
ATOM      2  C   LIG    1        4.312  -0.953  -0.508  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1        2.952  -1.081  -0.171  0.00  0.00    -0.014 A 
ATOM      4  C   LIG    1        2.311  -0.086   0.610  0.00  0.00    +0.009 A 
ATOM      5  C   LIG    1        0.930  -0.270   0.903  0.00  0.00    +0.113 A 
ATOM      6  C   LIG    1        0.240  -1.416   0.475  0.00  0.00    +0.029 A 
ATOM      7  C   LIG    1        0.894  -2.383  -0.276  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1        3.118   0.990   1.056  0.00  0.00    +0.012 A 
ATOM      9  C   LIG    1        2.236  -2.211  -0.602  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1        4.470   1.095   0.711  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1  11
ATOM     11  N   LIG    1        6.441   0.201  -0.371  0.00  0.00    -0.358 N 
ATOM     12  H   LIG    1        6.726  -0.302  -1.205  0.00  0.00    +0.142 HD
ATOM     13  H   LIG    1        6.834   1.136  -0.331  0.00  0.00    +0.142 HD
ENDBRANCH   1  11
BRANCH   5  14
ATOM     14  S   LIG    1        0.013   0.959   1.810  0.00  0.00    +0.059 S 
ATOM     15  O   LIG    1        0.365   2.278   1.331  0.00  0.00    -0.153 OA
ATOM     16  O   LIG    1        0.092   0.601   3.208  0.00  0.00    -0.153 OA
BRANCH  14  17
ATOM     17  N   LIG    1       -1.583   0.703   1.358  0.00  0.00    -0.186 NA
ATOM     18  H   LIG    1       -2.219   0.645   2.151  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -2.060   1.367   0.148  0.00  0.00    +0.141 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.360   0.756  -0.312  0.00  0.00    -0.032 A 
ATOM     21  C   LIG    1       -4.586   1.256   0.151  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1       -5.787   0.671  -0.255  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -5.773  -0.422  -1.120  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -4.561  -0.934  -1.578  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -3.359  -0.351  -1.173  0.00  0.00    +0.005 A 
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH  14  17
ENDBRANCH   5  14
TORSDOF 5