REMARK  Name = BDB059191
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.581   0.316   1.444  0.00  0.00    +0.191 A 
ATOM      2  N   LIG    1        1.000  -0.657   0.733  0.00  0.00    -0.220 NA
ATOM      3  C   LIG    1        0.163  -0.286  -0.265  0.00  0.00    +0.094 A 
ATOM      4  C   LIG    1       -0.125   1.040  -0.540  0.00  0.00    +0.110 A 
ATOM      5  C   LIG    1        0.499   1.967   0.277  0.00  0.00    +0.126 A 
ATOM      6  N   LIG    1        1.364   1.620   1.256  0.00  0.00    -0.214 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -0.400  -1.428  -1.005  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1       -0.141  -1.621  -2.373  0.00  0.00    +0.031 A 
ATOM      9  C   LIG    1       -0.673  -2.721  -3.060  0.00  0.00    +0.060 A 
ATOM     10 CL   LIG    1       -0.296  -2.874  -4.740  0.00  0.00    -0.082 Cl
ATOM     11  C   LIG    1       -1.470  -3.650  -2.385  0.00  0.00    +0.059 A 
ATOM     12 CL   LIG    1       -2.156  -5.028  -3.165  0.00  0.00    -0.082 Cl
ATOM     13  C   LIG    1       -1.726  -3.477  -1.024  0.00  0.00    +0.022 A 
ATOM     14  C   LIG    1       -1.192  -2.380  -0.341  0.00  0.00    +0.011 A 
ENDBRANCH   3   7
BRANCH   4  15
ATOM     15  C   LIG    1       -1.020   1.417  -1.586  0.00  0.00    +0.104 C 
ATOM     16  N   LIG    1       -1.727   1.702  -2.461  0.00  0.00    -0.191 NA
ENDBRANCH   4  15
BRANCH   1  17
ATOM     17  S   LIG    1        2.680  -0.135   2.755  0.00  0.00    -0.073 S 
BRANCH  17  18
ATOM     18  C   LIG    1        3.577  -1.485   1.938  0.00  0.00    +0.165 C 
BRANCH  18  20
ATOM     19  C   LIG    1        5.115  -0.638  -0.074  0.00  0.00    +0.004 C 
ATOM     20  C   LIG    1        4.423  -1.018   0.832  0.00  0.00    -0.094 C 
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH   1  17
BRANCH   5  21
ATOM     21  S   LIG    1        0.260   3.731   0.111  0.00  0.00    -0.042 S 
BRANCH  21  22
ATOM     22  C   LIG    1       -1.245   3.862   1.002  0.00  0.00    +0.141 A 
ATOM     23  S   LIG    1       -1.795   5.360   1.635  0.00  0.00    -0.069 S 
ATOM     24  C   LIG    1       -3.197   4.578   2.235  0.00  0.00    +0.067 A 
ATOM     25  C   LIG    1       -3.155   3.240   1.909  0.00  0.00    +0.120 A 
ATOM     26  N   LIG    1       -2.040   2.832   1.202  0.00  0.00    -0.241 NA
ENDBRANCH  21  22
ENDBRANCH   5  21
TORSDOF 7