REMARK  Name = BDB002222
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.290   0.403   0.696  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1        2.948   0.058   0.119  0.00  0.00    -0.050 A 
ATOM      3  C   LIG    1        1.926   1.018   0.078  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1        0.654   0.699  -0.420  0.00  0.00    -0.010 A 
ATOM      5  C   LIG    1       -0.386   1.735  -0.430  0.00  0.00    +0.006 C 
ATOM      6  C   LIG    1       -1.694   1.441  -0.496  0.00  0.00    -0.008 C 
ATOM      7  C   LIG    1       -2.272   0.041  -0.597  0.00  0.00    +0.052 C 
ATOM      8  S   LIG    1       -1.173  -1.029  -1.633  0.00  0.00    -0.002 S 
ATOM      9  O   LIG    1       -1.470  -2.624  -1.284  0.00  0.00    -0.156 OA
ATOM     10  C   LIG    1       -2.458  -0.562   0.801  0.00  0.00    +0.028 C 
ATOM     11  C   LIG    1       -3.632   0.098  -1.312  0.00  0.00    +0.028 C 
ATOM     12  C   LIG    1        0.412  -0.601  -0.891  0.00  0.00    +0.034 A 
ATOM     13  C   LIG    1        1.425  -1.564  -0.838  0.00  0.00    +0.017 A 
ATOM     14  C   LIG    1        2.682  -1.239  -0.327  0.00  0.00    +0.004 A 
ENDROOT
TORSDOF 0