REMARK  Name = BDB060535
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.237  -0.078   0.687  0.00  0.00    +0.104 C 
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1        3.603  -1.008  -1.104  0.00  0.00    +0.117 A 
ATOM      3  C   LIG    1        3.464  -1.005   0.277  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1        2.228  -0.697   0.849  0.00  0.00    +0.008 A 
ATOM      5  C   LIG    1        1.117  -0.391   0.041  0.00  0.00    -0.033 A 
ATOM      6  C   LIG    1        1.287  -0.402  -1.354  0.00  0.00    +0.008 A 
ATOM      7  C   LIG    1        2.524  -0.708  -1.927  0.00  0.00    +0.046 A 
BRANCH   2   8
ATOM      8  O   LIG    1        4.827  -1.313  -1.621  0.00  0.00    -0.507 OA
ATOM      9  H   LIG    1        4.771  -1.255  -2.589  0.00  0.00    +0.292 HD
ENDBRANCH   2   8
ENDBRANCH   1   5
BRANCH   1  10
ATOM     10  C   LIG    1       -0.742   1.364   0.519  0.00  0.00    +0.053 A 
ATOM     11  N   LIG    1       -0.360   2.087  -0.567  0.00  0.00    -0.259 NA
ATOM     12  C   LIG    1       -0.839   3.344  -0.691  0.00  0.00    +0.111 A 
ATOM     13  C   LIG    1       -1.699   3.934   0.217  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -2.095   3.191   1.320  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1       -1.616   1.892   1.475  0.00  0.00    +0.024 A 
ENDBRANCH   1  10
BRANCH   1  16
ATOM     16  C   LIG    1       -1.280  -1.151   0.374  0.00  0.00    +0.003 A 
ATOM     17  S   LIG    1       -2.389  -1.001  -0.931  0.00  0.00    -0.101 S 
ATOM     18  C   LIG    1       -3.115  -2.507  -0.581  0.00  0.00    +0.045 A 
ATOM     19  C   LIG    1       -2.531  -3.124   0.500  0.00  0.00    +0.008 A 
ATOM     20  C   LIG    1       -1.473  -2.345   1.049  0.00  0.00    +0.012 A 
ENDBRANCH   1  16
TORSDOF 4