REMARK  Name = BDB059163
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.969   1.219  -1.486  0.00  0.00    +0.191 A 
ATOM      2  N   LIG    1       -1.435   0.196  -0.761  0.00  0.00    -0.220 NA
ATOM      3  C   LIG    1       -0.639  -0.301   0.216  0.00  0.00    +0.094 A 
ATOM      4  C   LIG    1        0.632   0.194   0.456  0.00  0.00    +0.110 A 
ATOM      5  C   LIG    1        1.033   1.232  -0.370  0.00  0.00    +0.126 A 
ATOM      6  N   LIG    1        0.240   1.763  -1.329  0.00  0.00    -0.214 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.258  -1.411   0.965  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1       -1.726  -2.548   0.281  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1       -2.316  -3.605   0.975  0.00  0.00    +0.042 A 
ATOM     10 CL   LIG    1       -2.869  -4.988   0.113  0.00  0.00    -0.084 Cl
ATOM     11  C   LIG    1       -2.461  -3.550   2.358  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -2.019  -2.426   3.052  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1       -1.428  -1.364   2.361  0.00  0.00    +0.010 A 
ENDBRANCH   3   7
BRANCH   4  14
ATOM     14  C   LIG    1        1.477  -0.341   1.474  0.00  0.00    +0.104 C 
ATOM     15  N   LIG    1        2.146  -0.754   2.328  0.00  0.00    -0.191 NA
ENDBRANCH   4  14
BRANCH   1  16
ATOM     16  S   LIG    1       -2.023   1.841  -2.762  0.00  0.00    -0.073 S 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.688   3.616  -2.588  0.00  0.00    +0.165 C 
BRANCH  17  19
ATOM     18  C   LIG    1       -2.645   4.630  -0.310  0.00  0.00    +0.004 C 
ATOM     19  C   LIG    1       -2.215   4.173  -1.335  0.00  0.00    -0.094 C 
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH   1  16
BRANCH   5  20
ATOM     20  S   LIG    1        2.634   2.018  -0.242  0.00  0.00    -0.042 S 
BRANCH  20  21
ATOM     21  C   LIG    1        3.568   0.836  -1.140  0.00  0.00    +0.141 A 
ATOM     22  S   LIG    1        5.136   1.188  -1.743  0.00  0.00    -0.069 S 
ATOM     23  C   LIG    1        5.239  -0.403  -2.373  0.00  0.00    +0.067 A 
ATOM     24  C   LIG    1        4.082  -1.092  -2.079  0.00  0.00    +0.120 A 
ATOM     25  N   LIG    1        3.129  -0.384  -1.373  0.00  0.00    -0.241 NA
ENDBRANCH  20  21
ENDBRANCH   5  20
TORSDOF 7