REMARK  Name = BDB059205
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.043   1.278   1.818  0.00  0.00    +0.191 A 
ATOM      2  N   LIG    1       -3.596   0.380   0.994  0.00  0.00    -0.220 NA
ATOM      3  C   LIG    1       -2.782  -0.267   0.126  0.00  0.00    +0.094 A 
ATOM      4  C   LIG    1       -1.416  -0.047   0.095  0.00  0.00    +0.110 A 
ATOM      5  C   LIG    1       -0.938   0.880   1.008  0.00  0.00    +0.127 A 
ATOM      6  N   LIG    1       -1.738   1.559   1.859  0.00  0.00    -0.214 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -3.493  -1.217  -0.750  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -4.272  -2.247  -0.189  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1       -4.956  -3.159  -0.998  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1       -4.877  -3.047  -2.382  0.00  0.00    +0.041 A 
ATOM     11 CL   LIG    1       -5.719  -4.166  -3.381  0.00  0.00    -0.084 Cl
ATOM     12  C   LIG    1       -4.126  -2.029  -2.963  0.00  0.00    +0.020 A 
ATOM     13  C   LIG    1       -3.442  -1.117  -2.152  0.00  0.00    +0.011 A 
ENDBRANCH   3   7
BRANCH   4  14
ATOM     14  C   LIG    1       -0.549  -0.735  -0.805  0.00  0.00    +0.104 C 
ATOM     15  N   LIG    1        0.183  -1.254  -1.541  0.00  0.00    -0.191 NA
ENDBRANCH   4  14
BRANCH   1  16
ATOM     16  S   LIG    1       -4.128   2.100   2.948  0.00  0.00    -0.073 S 
BRANCH  16  17
ATOM     17  C   LIG    1       -3.397   3.761   2.915  0.00  0.00    +0.165 C 
BRANCH  17  19
ATOM     18  C   LIG    1       -3.737   4.994   0.570  0.00  0.00    +0.004 C 
ATOM     19  C   LIG    1       -3.586   4.438   1.624  0.00  0.00    -0.094 C 
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH   1  16
BRANCH   5  20
ATOM     20  S   LIG    1        0.794   1.319   1.136  0.00  0.00    -0.027 S 
BRANCH  20  21
ATOM     21  C   LIG    1        1.365  -0.120   1.904  0.00  0.00    +0.215 A 
ATOM     22  N   LIG    1        2.674  -0.509   1.928  0.00  0.00    -0.219 N 
ATOM     23  N   LIG    1        2.775  -1.686   2.574  0.00  0.00    -0.043 NA
ATOM     24  N   LIG    1        1.536  -1.998   2.929  0.00  0.00    -0.022 NA
ATOM     25  N   LIG    1        0.647  -1.038   2.511  0.00  0.00    -0.101 NA
BRANCH  22  26
ATOM     26  C   LIG    1        3.849   0.104   1.353  0.00  0.00    +0.163 C 
BRANCH  26  27
ATOM     27  C   LIG    1        4.098  -0.396  -0.075  0.00  0.00    +0.107 C 
BRANCH  27  28
ATOM     28  N   LIG    1        5.189   0.327  -0.757  0.00  0.00    -0.307 NA
ATOM     29  C   LIG    1        5.176   0.008  -2.190  0.00  0.00    +0.104 C 
ATOM     30  C   LIG    1        6.502  -0.010  -0.197  0.00  0.00    +0.104 C 
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  22  26
ENDBRANCH  20  21
ENDBRANCH   5  20
TORSDOF 10