REMARK  Name = BDB035273
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -1.087  -2.352  -1.490  0.00  0.00    +0.072 S 
ATOM      2  O   LIG    1       -0.412  -3.042  -2.567  0.00  0.00    -0.150 OA
ATOM      3  O   LIG    1       -2.076  -3.025  -0.671  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   1  10
ATOM      4  O   LIG    1        3.083   0.593  -2.165  0.00  0.00    -0.270 OA
ATOM      5  C   LIG    1        3.268   0.359  -0.970  0.00  0.00    +0.248 C 
ATOM      6  C   LIG    1        2.223  -0.367  -0.188  0.00  0.00    +0.080 A 
ATOM      7  C   LIG    1        2.131  -0.523   1.204  0.00  0.00    +0.133 A 
ATOM      8  C   LIG    1        1.069  -1.273   1.750  0.00  0.00    +0.048 A 
ATOM      9  C   LIG    1        0.081  -1.842   0.948  0.00  0.00    +0.032 A 
ATOM     10  C   LIG    1        0.161  -1.673  -0.427  0.00  0.00    +0.109 A 
ATOM     11  O   LIG    1        2.958  -0.069   2.189  0.00  0.00    -0.490 OA
ATOM     12  C   LIG    1        3.797   1.040   1.906  0.00  0.00    +0.247 C 
ATOM     13  C   LIG    1        4.889   0.638   0.939  0.00  0.00    +0.145 C 
ATOM     14  C   LIG    1        1.224  -0.963  -0.992  0.00  0.00    +0.045 A 
ATOM     15  N   LIG    1        4.442   0.786  -0.422  0.00  0.00    -0.308 N 
ATOM     16  H   LIG    1        5.073   1.198  -1.100  0.00  0.00    +0.149 HD
ENDBRANCH   1  10
BRANCH   1  17
ATOM     17  N   LIG    1       -1.806  -0.986  -2.171  0.00  0.00    -0.214 N 
ATOM     18  H   LIG    1       -1.398  -0.772  -3.082  0.00  0.00    +0.174 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -2.194   0.114  -1.352  0.00  0.00    +0.072 A 
ATOM     20  C   LIG    1       -3.082   0.008  -0.266  0.00  0.00    +0.072 A 
ATOM     21  C   LIG    1       -3.448   1.107   0.533  0.00  0.00    +0.038 A 
ATOM     22  C   LIG    1       -4.350   0.598   1.522  0.00  0.00    +0.067 A 
ATOM     23  C   LIG    1       -4.512  -0.749   1.304  0.00  0.00    +0.103 A 
ATOM     24 CL   LIG    1       -5.115   1.460   2.774  0.00  0.00    -0.081 Cl
ATOM     25  C   LIG    1       -2.876   2.354   0.195  0.00  0.00    +0.052 A 
ATOM     26 CL   LIG    1       -3.280   3.719   1.142  0.00  0.00    -0.083 Cl
ATOM     27  C   LIG    1       -2.002   2.489  -0.884  0.00  0.00    +0.022 A 
ATOM     28  N   LIG    1       -3.757  -1.092   0.221  0.00  0.00    -0.358 N 
ATOM     29  H   LIG    1       -3.647  -2.032  -0.152  0.00  0.00    +0.165 HD
ATOM     30  C   LIG    1       -1.671   1.378  -1.651  0.00  0.00    +0.028 A 
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 3