REMARK  Name = BDB060980
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.043  -1.088  -0.078  0.00  0.00    +0.032 A 
ATOM      2  C   LIG    1       -2.958  -0.306   0.404  0.00  0.00    +0.003 A 
ATOM      3  C   LIG    1       -2.566   0.843  -0.336  0.00  0.00    -0.014 A 
ATOM      4  C   LIG    1       -1.514   1.654   0.119  0.00  0.00    +0.037 A 
ATOM      5  C   LIG    1       -0.831   1.327   1.291  0.00  0.00    +0.106 A 
ATOM      6  C   LIG    1       -1.191   0.206   2.033  0.00  0.00    +0.029 A 
ATOM      7  C   LIG    1       -3.224   1.163  -1.532  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1       -4.246   0.355  -2.021  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1       -2.241  -0.602   1.589  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -4.636  -0.773  -1.308  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1  11
ATOM     11  N   LIG    1       -4.430  -2.311   0.517  0.00  0.00    -0.357 N 
ATOM     12  H   LIG    1       -4.263  -2.333   1.517  0.00  0.00    +0.142 HD
ATOM     13  H   LIG    1       -3.951  -3.089   0.068  0.00  0.00    +0.142 HD
ENDBRANCH   1  11
BRANCH   5  14
ATOM     14  S   LIG    1        0.505   2.346   1.855  0.00  0.00    +0.059 S 
ATOM     15  O   LIG    1        0.588   3.523   1.019  0.00  0.00    -0.153 OA
ATOM     16  O   LIG    1        0.408   2.437   3.295  0.00  0.00    -0.153 OA
BRANCH  14  17
ATOM     17  N   LIG    1        1.826   1.383   1.526  0.00  0.00    -0.186 NA
ATOM     18  H   LIG    1        2.465   1.256   2.308  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  C   LIG    1        2.373   1.386   0.176  0.00  0.00    +0.141 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.195   0.145  -0.066  0.00  0.00    -0.032 A 
ATOM     21  C   LIG    1        4.596   0.196  -0.054  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1        5.346  -0.963  -0.263  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        4.705  -2.182  -0.477  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        3.313  -2.246  -0.481  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        2.561  -1.089  -0.273  0.00  0.00    +0.005 A 
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH  14  17
ENDBRANCH   5  14
TORSDOF 5