REMARK  Name = BDB035255
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1        0.703   1.715   2.827  0.00  0.00    +0.072 S 
ATOM      2  O   LIG    1        1.225   0.887   3.890  0.00  0.00    -0.150 OA
ATOM      3  O   LIG    1        0.067   2.987   3.095  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   1  12
ATOM      4  C   LIG    1       -4.571  -0.341  -2.352  0.00  0.00    +0.142 C 
ATOM      5  N   LIG    1       -3.626  -0.238  -1.267  0.00  0.00    -0.237 N 
ATOM      6  C   LIG    1       -3.012   0.924  -0.893  0.00  0.00    +0.254 C 
ATOM      7  O   LIG    1       -3.117   2.045  -1.350  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -2.103   0.580   0.197  0.00  0.00    +0.051 A 
ATOM      9  C   LIG    1       -2.178  -0.789   0.390  0.00  0.00    +0.050 A 
ATOM     10  C   LIG    1       -1.407  -1.439   1.335  0.00  0.00    +0.016 A 
ATOM     11  C   LIG    1       -0.530  -0.656   2.094  0.00  0.00    +0.029 A 
ATOM     12  C   LIG    1       -0.454   0.741   1.883  0.00  0.00    +0.109 A 
ATOM     13  C   LIG    1       -1.262   1.385   0.938  0.00  0.00    +0.042 A 
ATOM     14  C   LIG    1       -3.156  -1.314  -0.564  0.00  0.00    +0.254 C 
ATOM     15  O   LIG    1       -3.441  -2.490  -0.671  0.00  0.00    -0.270 OA
ENDBRANCH   1  12
BRANCH   1  16
ATOM     16  N   LIG    1        1.926   2.026   1.708  0.00  0.00    -0.214 N 
ATOM     17  H   LIG    1        1.864   2.946   1.278  0.00  0.00    +0.174 HD
BRANCH  16  18
ATOM     18  C   LIG    1        2.505   0.949   0.988  0.00  0.00    +0.072 A 
ATOM     19  C   LIG    1        2.262   0.786  -0.388  0.00  0.00    +0.072 A 
ATOM     20  C   LIG    1        2.749  -0.315  -1.118  0.00  0.00    +0.038 A 
ATOM     21  C   LIG    1        2.279  -0.141  -2.458  0.00  0.00    +0.067 A 
ATOM     22  C   LIG    1        1.545   1.021  -2.510  0.00  0.00    +0.103 A 
ATOM     23 CL   LIG    1        2.541  -1.162  -3.794  0.00  0.00    -0.081 Cl
ATOM     24  C   LIG    1        3.518  -1.261  -0.402  0.00  0.00    +0.052 A 
ATOM     25 CL   LIG    1        4.132  -2.614  -1.246  0.00  0.00    -0.083 Cl
ATOM     26  C   LIG    1        3.775  -1.113   0.963  0.00  0.00    +0.022 A 
ATOM     27  N   LIG    1        1.549   1.577  -1.264  0.00  0.00    -0.358 N 
ATOM     28  H   LIG    1        1.089   2.443  -1.020  0.00  0.00    +0.165 HD
ATOM     29  C   LIG    1        3.265  -0.018   1.650  0.00  0.00    +0.028 A 
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 3