REMARK  Name = BDB059194
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.377  -0.695   1.710  0.00  0.00    +0.191 A 
ATOM      2  N   LIG    1       -3.112   0.075   0.899  0.00  0.00    -0.220 NA
ATOM      3  C   LIG    1       -2.455   0.898   0.046  0.00  0.00    +0.094 A 
ATOM      4  C   LIG    1       -1.074   0.951  -0.021  0.00  0.00    +0.110 A 
ATOM      5  C   LIG    1       -0.406   0.102   0.844  0.00  0.00    +0.127 A 
ATOM      6  N   LIG    1       -1.040  -0.704   1.722  0.00  0.00    -0.214 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -3.355   1.706  -0.794  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1       -3.397   3.107  -0.691  0.00  0.00    +0.031 A 
ATOM      9  C   LIG    1       -4.267   3.863  -1.488  0.00  0.00    +0.060 A 
ATOM     10 CL   LIG    1       -4.248   5.580  -1.286  0.00  0.00    -0.082 Cl
ATOM     11  C   LIG    1       -5.114   3.225  -2.399  0.00  0.00    +0.059 A 
ATOM     12 CL   LIG    1       -6.212   4.092  -3.411  0.00  0.00    -0.082 Cl
ATOM     13  C   LIG    1       -5.090   1.834  -2.504  0.00  0.00    +0.022 A 
ATOM     14  C   LIG    1       -4.222   1.082  -1.706  0.00  0.00    +0.011 A 
ENDBRANCH   3   7
BRANCH   4  15
ATOM     15  C   LIG    1       -0.390   1.813  -0.928  0.00  0.00    +0.104 C 
ATOM     16  N   LIG    1        0.166   2.538  -1.643  0.00  0.00    -0.191 NA
ENDBRANCH   4  15
BRANCH   1  17
ATOM     17  S   LIG    1       -3.185  -1.768   2.862  0.00  0.00    -0.073 S 
BRANCH  17  18
ATOM     18  C   LIG    1       -4.918  -1.493   2.391  0.00  0.00    +0.165 C 
BRANCH  18  20
ATOM     19  C   LIG    1       -6.568  -2.982   3.872  0.00  0.00    +0.004 C 
ATOM     20  C   LIG    1       -5.823  -2.313   3.208  0.00  0.00    -0.094 C 
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH   1  17
BRANCH   5  21
ATOM     21  S   LIG    1        1.378  -0.019   0.907  0.00  0.00    -0.027 S 
BRANCH  21  22
ATOM     22  C   LIG    1        1.583  -1.159  -0.375  0.00  0.00    +0.215 A 
ATOM     23  N   LIG    1        2.715  -1.895  -0.575  0.00  0.00    -0.219 N 
ATOM     24  N   LIG    1        2.561  -2.655  -1.674  0.00  0.00    -0.043 NA
ATOM     25  N   LIG    1        1.346  -2.375  -2.126  0.00  0.00    -0.022 NA
ATOM     26  N   LIG    1        0.727  -1.441  -1.332  0.00  0.00    -0.101 NA
BRANCH  23  27
ATOM     27  C   LIG    1        3.949  -1.940   0.177  0.00  0.00    +0.163 C 
BRANCH  27  28
ATOM     28  C   LIG    1        4.950  -0.896  -0.331  0.00  0.00    +0.107 C 
BRANCH  28  29
ATOM     29  N   LIG    1        6.228  -0.912   0.408  0.00  0.00    -0.307 NA
ATOM     30  C   LIG    1        7.246  -0.160  -0.334  0.00  0.00    +0.104 C 
ATOM     31  C   LIG    1        6.092  -0.348   1.755  0.00  0.00    +0.104 C 
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  23  27
ENDBRANCH  21  22
ENDBRANCH   5  21
TORSDOF 10