REMARK  Name = BDB002060
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.808  -0.480  -0.638  0.00  0.00    +0.192 A 
ATOM      2  N   LIG    1       -0.616  -0.901  -1.164  0.00  0.00    -0.305 N 
ATOM      3  C   LIG    1       -0.394  -1.961  -2.108  0.00  0.00    +0.153 C 
ATOM      4  C   LIG    1        0.345  -0.094  -0.596  0.00  0.00    +0.167 A 
ATOM      5  N   LIG    1       -0.253   0.758   0.216  0.00  0.00    -0.128 NA
ATOM      6  N   LIG    1       -1.602   0.517   0.188  0.00  0.00    -0.122 NA
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        1.899  -0.104  -0.810  0.00  0.00    +0.044 A 
ATOM      8  C   LIG    1        2.833   0.777  -0.177  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1        4.104   0.433  -0.640  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1        5.269   1.092  -0.227  0.00  0.00    +0.026 A 
ATOM     11  C   LIG    1        5.133   2.138   0.690  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1        3.881   2.507   1.173  0.00  0.00    +0.001 A 
ATOM     13  N   LIG    1        3.945  -0.612  -1.518  0.00  0.00    -0.360 N 
ATOM     14  H   LIG    1        4.705  -1.064  -2.008  0.00  0.00    +0.165 HD
ATOM     15  C   LIG    1        2.727   1.837   0.749  0.00  0.00    +0.011 A 
ATOM     16  C   LIG    1        2.619  -0.946  -1.630  0.00  0.00    +0.095 A 
ENDBRANCH   4   7
BRANCH   1  17
ATOM     17  S   LIG    1       -3.345  -1.173  -1.029  0.00  0.00    -0.086 S 
BRANCH  17  18
ATOM     18  C   LIG    1       -4.450  -0.274   0.105  0.00  0.00    +0.077 C 
BRANCH  18  20
ATOM     19  C   LIG    1       -5.332  -0.102   2.453  0.00  0.00    +0.004 C 
ATOM     20  C   LIG    1       -4.379  -0.839   1.522  0.00  0.00    +0.008 C 
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 4