REMARK  Name = BDB059833
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.478  -2.728  -0.946  0.00  0.00    -0.198 N 
ATOM      2  H   LIG    1        0.597  -3.110  -1.878  0.00  0.00    +0.175 HD
ENDROOT
BRANCH   1   7
ATOM      3  C   LIG    1       -1.256   1.235   1.247  0.00  0.00    +0.086 C 
ATOM      4  C   LIG    1       -0.932   0.240   0.193  0.00  0.00    +0.109 A 
ATOM      5  N   LIG    1       -1.264   0.339  -1.141  0.00  0.00    -0.330 N 
ATOM      6  C   LIG    1       -0.770  -0.784  -1.761  0.00  0.00    +0.132 A 
ATOM      7  C   LIG    1       -0.165  -1.522  -0.775  0.00  0.00    +0.156 A 
ATOM      8  N   LIG    1       -0.267  -0.877   0.416  0.00  0.00    -0.217 NA
BRANCH   5   9
ATOM      9  C   LIG    1       -1.996   1.380  -1.839  0.00  0.00    +0.088 C 
ATOM     10  C   LIG    1       -1.442   2.806  -1.684  0.00  0.00    +0.025 C 
ATOM     11  C   LIG    1       -2.589   3.632  -1.112  0.00  0.00    +0.002 C 
ATOM     12  C   LIG    1       -3.838   2.925  -1.610  0.00  0.00    +0.002 C 
ATOM     13  C   LIG    1       -3.487   1.450  -1.478  0.00  0.00    +0.025 C 
ENDBRANCH   5   9
ENDBRANCH   1   7
BRANCH   1  14
ATOM     14  S   LIG    1        1.219  -3.589   0.271  0.00  0.00    +0.077 S 
ATOM     15  O   LIG    1        0.286  -3.885   1.335  0.00  0.00    -0.150 OA
ATOM     16  O   LIG    1        1.928  -4.670  -0.397  0.00  0.00    -0.150 OA
BRANCH  14  17
ATOM     17  C   LIG    1        2.476  -2.503   0.882  0.00  0.00    +0.152 A 
ATOM     18  C   LIG    1        3.745  -2.464   0.294  0.00  0.00    +0.162 A 
ATOM     19  C   LIG    1        4.699  -1.569   0.799  0.00  0.00    +0.085 A 
ATOM     20 CL   LIG    1        6.276  -1.448   0.102  0.00  0.00    -0.080 Cl
ATOM     21  C   LIG    1        4.403  -0.753   1.894  0.00  0.00    +0.039 A 
ATOM     22  C   LIG    1        3.148  -0.833   2.491  0.00  0.00    +0.021 A 
ATOM     23 BR   LIG    1        2.742   0.270   3.971  0.00  0.00    -0.050 Br
ATOM     24  C   LIG    1        2.186  -1.710   2.001  0.00  0.00    +0.048 A 
BRANCH  18  25
ATOM     25  O   LIG    1        4.104  -3.257  -0.765  0.00  0.00    -0.503 OA
ATOM     26  H   LIG    1        3.535  -4.058  -0.796  0.00  0.00    +0.292 HD
ENDBRANCH  18  25
ENDBRANCH  14  17
ENDBRANCH   1  14
TORSDOF 5