REMARK  Name = BDB059449
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.145   0.001  -0.063  0.00  0.00    +0.057 A 
ATOM      2  C   LIG    1       -0.668  -0.033   1.089  0.00  0.00    +0.029 A 
ATOM      3  C   LIG    1       -2.068  -0.061   1.007  0.00  0.00    +0.035 A 
ATOM      4  C   LIG    1       -2.687  -0.055  -0.243  0.00  0.00    +0.126 A 
ATOM      5  C   LIG    1       -1.913  -0.021  -1.403  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1       -0.513   0.006  -1.306  0.00  0.00    +0.029 A 
ENDROOT
BRANCH   1   9
ATOM      7  O   LIG    1        2.252   0.078  -2.249  0.00  0.00    -0.267 OA
ATOM      8  C   LIG    1        2.469   0.064  -1.045  0.00  0.00    +0.264 A 
ATOM      9  N   LIG    1        1.573   0.030   0.030  0.00  0.00    -0.245 N 
ATOM     10  S   LIG    1        2.389   0.024   1.546  0.00  0.00    +0.008 S 
ATOM     11  C   LIG    1        3.917   0.067   0.765  0.00  0.00    +0.100 A 
ATOM     12 CL   LIG    1        5.377   0.084   1.651  0.00  0.00    -0.074 Cl
ATOM     13  C   LIG    1        3.866   0.086  -0.563  0.00  0.00    +0.099 A 
ENDBRANCH   1   9
BRANCH   4  14
ATOM     14  N   LIG    1       -4.152  -0.084  -0.337  0.00  0.00    +0.056 N 
ATOM     15  O   LIG    1       -4.657  -0.077  -1.468  0.00  0.00    -0.126 OA
ATOM     16  O   LIG    1       -4.796  -0.113   0.721  0.00  0.00    -0.126 OA
ENDBRANCH   4  14
TORSDOF 2