REMARK  Name = BDB059169
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.691  -1.158  -1.411  0.00  0.00    +0.191 A 
ATOM      2  N   LIG    1        1.316  -0.165  -0.768  0.00  0.00    -0.220 NA
ATOM      3  C   LIG    1        0.559   0.854  -0.292  0.00  0.00    +0.094 A 
ATOM      4  C   LIG    1       -0.813   0.904  -0.473  0.00  0.00    +0.110 A 
ATOM      5  C   LIG    1       -1.364  -0.176  -1.141  0.00  0.00    +0.127 A 
ATOM      6  N   LIG    1       -0.627  -1.200  -1.624  0.00  0.00    -0.214 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        1.341   1.885   0.411  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1        1.092   2.212   1.755  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1        1.854   3.187   2.402  0.00  0.00    +0.042 A 
ATOM     10 CL   LIG    1        1.530   3.569   4.048  0.00  0.00    -0.084 Cl
ATOM     11  C   LIG    1        2.878   3.848   1.730  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1        3.149   3.528   0.401  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1        2.390   2.552  -0.249  0.00  0.00    +0.010 A 
ENDBRANCH   3   7
BRANCH   4  14
ATOM     14  C   LIG    1       -1.599   2.013  -0.038  0.00  0.00    +0.104 C 
ATOM     15  N   LIG    1       -2.238   2.921   0.297  0.00  0.00    -0.191 NA
ENDBRANCH   4  14
BRANCH   1  16
ATOM     16  S   LIG    1        1.643  -2.498  -2.066  0.00  0.00    -0.073 S 
BRANCH  16  17
ATOM     17  C   LIG    1        3.171  -2.285  -1.106  0.00  0.00    +0.165 C 
BRANCH  17  19
ATOM     18  C   LIG    1        4.922  -4.232  -1.636  0.00  0.00    +0.004 C 
ATOM     19  C   LIG    1        4.133  -3.357  -1.400  0.00  0.00    -0.094 C 
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH   1  16
BRANCH   5  20
ATOM     20  S   LIG    1       -3.118  -0.336  -1.458  0.00  0.00    -0.027 S 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.566  -1.028   0.060  0.00  0.00    +0.215 A 
ATOM     22  N   LIG    1       -4.712  -1.736   0.264  0.00  0.00    -0.223 N 
ATOM     23  C   LIG    1       -5.757  -2.085  -0.657  0.00  0.00    +0.177 C 
ATOM     24  N   LIG    1       -4.773  -2.125   1.550  0.00  0.00    -0.043 NA
ATOM     25  N   LIG    1       -3.670  -1.647   2.111  0.00  0.00    -0.022 NA
ATOM     26  N   LIG    1       -2.909  -0.958   1.196  0.00  0.00    -0.101 NA
ENDBRANCH  20  21
ENDBRANCH   5  20
TORSDOF 7