REMARK  Name = BDB035274
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -0.606   1.416  -2.823  0.00  0.00    +0.072 S 
ATOM      2  O   LIG    1       -1.034   0.577  -3.919  0.00  0.00    -0.150 OA
ATOM      3  O   LIG    1        0.102   2.658  -3.050  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   1  12
ATOM      4  O   LIG    1        4.409   1.955   2.235  0.00  0.00    -0.275 OA
ATOM      5  C   LIG    1        3.845   0.948   1.792  0.00  0.00    +0.218 C 
ATOM      6  N   LIG    1        2.994   1.131   0.756  0.00  0.00    -0.284 N 
ATOM      7  H   LIG    1        2.991   2.119   0.522  0.00  0.00    +0.155 HD
ATOM      8  C   LIG    1        2.139   0.313  -0.009  0.00  0.00    +0.049 A 
ATOM      9  C   LIG    1        1.983  -1.086   0.028  0.00  0.00    +0.029 A 
ATOM     10  C   LIG    1        1.028  -1.688  -0.826  0.00  0.00    +0.018 A 
ATOM     11  C   LIG    1        0.244  -0.945  -1.706  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1        0.394   0.432  -1.731  0.00  0.00    +0.110 A 
ATOM     13  S   LIG    1        2.842  -2.298   1.015  0.00  0.00    -0.123 S 
ATOM     14  C   LIG    1        4.377  -1.448   1.419  0.00  0.00    +0.083 C 
ATOM     15  C   LIG    1        1.342   1.052  -0.912  0.00  0.00    +0.053 A 
ATOM     16  C   LIG    1        4.079  -0.380   2.436  0.00  0.00    +0.107 C 
ENDBRANCH   1  12
BRANCH   1  17
ATOM     17  N   LIG    1       -1.931   1.811  -1.860  0.00  0.00    -0.214 N 
ATOM     18  H   LIG    1       -1.868   2.723  -1.415  0.00  0.00    +0.174 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -2.696   0.781  -1.256  0.00  0.00    +0.072 A 
ATOM     20  C   LIG    1       -2.624   0.538   0.126  0.00  0.00    +0.072 A 
ATOM     21  C   LIG    1       -3.324  -0.512   0.749  0.00  0.00    +0.038 A 
ATOM     22  C   LIG    1       -2.988  -0.443   2.138  0.00  0.00    +0.067 A 
ATOM     23  C   LIG    1       -2.119   0.607   2.320  0.00  0.00    +0.103 A 
ATOM     24 CL   LIG    1       -3.531  -1.458   3.392  0.00  0.00    -0.081 Cl
ATOM     25  C   LIG    1       -4.123  -1.325  -0.088  0.00  0.00    +0.052 A 
ATOM     26 CL   LIG    1       -4.993  -2.613   0.623  0.00  0.00    -0.083 Cl
ATOM     27  C   LIG    1       -4.206  -1.101  -1.464  0.00  0.00    +0.022 A 
ATOM     28  N   LIG    1       -1.905   1.190   1.105  0.00  0.00    -0.358 N 
ATOM     29  H   LIG    1       -1.300   1.983   0.945  0.00  0.00    +0.165 HD
ATOM     30  C   LIG    1       -3.491  -0.058  -2.040  0.00  0.00    +0.028 A 
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 3