REMARK  Name = BDB059586
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.380  -2.076   1.164  0.00  0.00    -0.216 N 
ATOM      2  H   LIG    1       -0.537  -1.774   2.124  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1   5
ATOM      3  C   LIG    1        2.004   0.460  -0.092  0.00  0.00    +0.091 A 
ATOM      4  C   LIG    1        1.006  -0.147   0.674  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1        0.674  -1.478   0.425  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1        1.335  -2.196  -0.573  0.00  0.00    +0.044 A 
ATOM      7  C   LIG    1        2.325  -1.573  -1.333  0.00  0.00    +0.045 A 
ATOM      8 CL   LIG    1        3.131  -2.450  -2.573  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1        2.662  -0.241  -1.105  0.00  0.00    +0.047 A 
BRANCH   3  11
ATOM     10  C   LIG    1        3.893   2.130   1.099  0.00  0.00    +0.200 C 
ATOM     11  S   LIG    1        2.388   2.174   0.163  0.00  0.00    -0.006 S 
ATOM     12  O   LIG    1        1.347   2.727   1.008  0.00  0.00    -0.170 OA
ATOM     13  O   LIG    1        2.669   2.742  -1.141  0.00  0.00    -0.170 OA
ENDBRANCH   3  11
ENDBRANCH   1   5
BRANCH   1  14
ATOM     14  S   LIG    1       -1.845  -2.423   0.382  0.00  0.00    +0.076 S 
ATOM     15  O   LIG    1       -1.611  -3.318  -0.729  0.00  0.00    -0.150 OA
ATOM     16  O   LIG    1       -2.749  -2.808   1.449  0.00  0.00    -0.150 OA
BRANCH  14  17
ATOM     17  C   LIG    1       -2.388  -0.835  -0.212  0.00  0.00    +0.151 A 
ATOM     18  C   LIG    1       -1.999  -0.326  -1.454  0.00  0.00    +0.143 A 
ATOM     19  C   LIG    1       -2.471   0.918  -1.878  0.00  0.00    +0.048 A 
ATOM     20  C   LIG    1       -3.340   1.652  -1.068  0.00  0.00    +0.019 A 
ATOM     21  C   LIG    1       -3.739   1.136   0.163  0.00  0.00    +0.020 A 
ATOM     22 BR   LIG    1       -4.919   2.127   1.256  0.00  0.00    -0.050 Br
ATOM     23  C   LIG    1       -3.273  -0.103   0.595  0.00  0.00    +0.047 A 
BRANCH  18  24
ATOM     24  O   LIG    1       -1.135  -1.004  -2.257  0.00  0.00    -0.505 OA
ATOM     25  H   LIG    1       -1.113  -0.602  -3.143  0.00  0.00    +0.292 HD
ENDBRANCH  18  24
ENDBRANCH  14  17
ENDBRANCH   1  14
TORSDOF 5