REMARK  Name = BDB059206
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.766  -0.552   0.271  0.00  0.00    +0.190 A 
ATOM      2  N   LIG    1       -0.182  -1.405   0.673  0.00  0.00    -0.221 NA
ATOM      3  C   LIG    1       -1.328  -1.466  -0.046  0.00  0.00    +0.094 A 
ATOM      4  C   LIG    1       -1.530  -0.691  -1.178  0.00  0.00    +0.110 A 
ATOM      5  C   LIG    1       -0.495   0.166  -1.510  0.00  0.00    +0.126 A 
ATOM      6  N   LIG    1        0.651   0.235  -0.799  0.00  0.00    -0.214 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -2.304  -2.436   0.488  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -3.617  -2.063   0.828  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1       -4.523  -3.001   1.337  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1       -4.125  -4.321   1.524  0.00  0.00    +0.041 A 
ATOM     11 CL   LIG    1       -5.239  -5.471   2.152  0.00  0.00    -0.084 Cl
ATOM     12  C   LIG    1       -2.827  -4.713   1.211  0.00  0.00    +0.020 A 
ATOM     13  C   LIG    1       -1.923  -3.775   0.702  0.00  0.00    +0.011 A 
ENDBRANCH   3   7
BRANCH   4  14
ATOM     14  C   LIG    1       -2.720  -0.785  -1.960  0.00  0.00    +0.104 C 
ATOM     15  N   LIG    1       -3.697  -0.849  -2.583  0.00  0.00    -0.191 NA
ENDBRANCH   4  14
BRANCH   1  16
ATOM     16  S   LIG    1        2.245  -0.482   1.244  0.00  0.00    -0.086 S 
BRANCH  16  17
ATOM     17  C   LIG    1        3.133   0.872   0.402  0.00  0.00    +0.077 C 
BRANCH  17  19
ATOM     18  C   LIG    1        4.340   1.804   2.454  0.00  0.00    +0.004 C 
ATOM     19  C   LIG    1        4.473   1.182   1.071  0.00  0.00    +0.008 C 
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH   1  16
BRANCH   5  20
ATOM     20  S   LIG    1       -0.567   1.237  -2.944  0.00  0.00    -0.042 S 
BRANCH  20  21
ATOM     21  C   LIG    1       -0.069   2.734  -2.180  0.00  0.00    +0.141 A 
ATOM     22  S   LIG    1       -0.953   3.497  -0.918  0.00  0.00    -0.069 S 
ATOM     23  C   LIG    1        0.205   4.761  -0.890  0.00  0.00    +0.067 A 
ATOM     24  C   LIG    1        1.167   4.528  -1.849  0.00  0.00    +0.120 A 
ATOM     25  N   LIG    1        1.004   3.375  -2.591  0.00  0.00    -0.241 NA
ENDBRANCH  20  21
ENDBRANCH   5  20
TORSDOF 7