REMARK  Name = BDB035269
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1        0.734  -2.627  -0.897  0.00  0.00    +0.072 S 
ATOM      2  O   LIG    1       -0.134  -3.437  -1.726  0.00  0.00    -0.150 OA
ATOM      3  O   LIG    1        1.712  -3.239  -0.022  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   1  12
ATOM      4  C   LIG    1       -5.380   1.877  -0.060  0.00  0.00    +0.136 C 
ATOM      5  N   LIG    1       -4.185   1.270   0.493  0.00  0.00    -0.266 N 
ATOM      6  C   LIG    1       -3.855   1.582   1.809  0.00  0.00    +0.408 C 
ATOM      7  O   LIG    1       -4.471   2.404   2.482  0.00  0.00    -0.226 OA
ATOM      8  O   LIG    1       -2.744   0.925   2.357  0.00  0.00    -0.411 OA
ATOM      9  C   LIG    1       -1.935   0.093   1.571  0.00  0.00    +0.138 A 
ATOM     10  C   LIG    1       -2.392  -0.364   0.342  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -1.571  -1.206  -0.415  0.00  0.00    +0.037 A 
ATOM     12  C   LIG    1       -0.302  -1.550   0.069  0.00  0.00    +0.109 A 
ATOM     13  C   LIG    1        0.138  -1.099   1.319  0.00  0.00    +0.032 A 
ATOM     14  C   LIG    1       -0.686  -0.266   2.074  0.00  0.00    +0.048 A 
ATOM     15  C   LIG    1       -3.776   0.002  -0.070  0.00  0.00    +0.149 C 
ENDBRANCH   1  12
BRANCH   1  16
ATOM     16  N   LIG    1        1.523  -1.571  -1.947  0.00  0.00    -0.214 N 
ATOM     17  H   LIG    1        1.032  -1.492  -2.837  0.00  0.00    +0.174 HD
BRANCH  16  18
ATOM     18  C   LIG    1        2.195  -0.416  -1.456  0.00  0.00    +0.072 A 
ATOM     19  C   LIG    1        3.247  -0.462  -0.525  0.00  0.00    +0.072 A 
ATOM     20  C   LIG    1        3.906   0.690  -0.056  0.00  0.00    +0.038 A 
ATOM     21  C   LIG    1        4.902   0.233   0.865  0.00  0.00    +0.067 A 
ATOM     22  C   LIG    1        4.832  -1.138   0.930  0.00  0.00    +0.103 A 
ATOM     23 CL   LIG    1        6.005   1.175   1.755  0.00  0.00    -0.081 Cl
ATOM     24  C   LIG    1        3.456   1.928  -0.567  0.00  0.00    +0.052 A 
ATOM     25 CL   LIG    1        4.218   3.358  -0.024  0.00  0.00    -0.083 Cl
ATOM     26  C   LIG    1        2.417   2.001  -1.497  0.00  0.00    +0.022 A 
ATOM     27  N   LIG    1        3.842  -1.547   0.085  0.00  0.00    -0.358 N 
ATOM     28  H   LIG    1        3.529  -2.507  -0.039  0.00  0.00    +0.165 HD
ATOM     29  C   LIG    1        1.798   0.837  -1.938  0.00  0.00    +0.028 A 
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 3