REMARK  Name = BDB059164
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.942   1.347  -0.215  0.00  0.00    +0.191 A 
ATOM      2  N   LIG    1       -2.028   0.592  -0.023  0.00  0.00    -0.220 NA
ATOM      3  C   LIG    1       -1.871  -0.756  -0.020  0.00  0.00    +0.094 A 
ATOM      4  C   LIG    1       -0.642  -1.359  -0.233  0.00  0.00    +0.110 A 
ATOM      5  C   LIG    1        0.418  -0.490  -0.418  0.00  0.00    +0.127 A 
ATOM      6  N   LIG    1        0.283   0.856  -0.418  0.00  0.00    -0.214 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -3.127  -1.490   0.215  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -3.267  -2.399   1.277  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1       -4.468  -3.085   1.486  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1       -5.567  -2.864   0.650  0.00  0.00    -0.050 A 
ATOM     11  C   LIG    1       -6.843  -3.626   0.854  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1       -5.441  -1.961  -0.409  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1       -4.239  -1.277  -0.617  0.00  0.00    +0.010 A 
ENDBRANCH   3   7
BRANCH   4  14
ATOM     14  C   LIG    1       -0.486  -2.776  -0.292  0.00  0.00    +0.104 C 
ATOM     15  N   LIG    1       -0.369  -3.929  -0.349  0.00  0.00    -0.191 NA
ENDBRANCH   4  14
BRANCH   1  16
ATOM     16  S   LIG    1       -1.096   3.109  -0.228  0.00  0.00    -0.073 S 
BRANCH  16  17
ATOM     17  C   LIG    1       -2.775   3.278   0.449  0.00  0.00    +0.165 C 
BRANCH  17  19
ATOM     18  C   LIG    1       -3.438   5.849   0.742  0.00  0.00    +0.004 C 
ATOM     19  C   LIG    1       -3.137   4.694   0.609  0.00  0.00    -0.094 C 
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH   1  16
BRANCH   5  20
ATOM     20  S   LIG    1        2.095  -1.049  -0.682  0.00  0.00    -0.027 S 
BRANCH  20  21
ATOM     21  C   LIG    1        2.679  -0.586   0.873  0.00  0.00    +0.215 A 
ATOM     22  N   LIG    1        3.350   0.568   1.150  0.00  0.00    -0.219 N 
ATOM     23  N   LIG    1        3.580   0.633   2.479  0.00  0.00    -0.043 NA
ATOM     24  N   LIG    1        3.059  -0.479   2.980  0.00  0.00    -0.022 NA
ATOM     25  N   LIG    1        2.482  -1.243   1.994  0.00  0.00    -0.101 NA
BRANCH  22  26
ATOM     26  C   LIG    1        3.739   1.669   0.302  0.00  0.00    +0.163 C 
BRANCH  26  27
ATOM     27  C   LIG    1        5.204   1.578  -0.144  0.00  0.00    +0.107 C 
BRANCH  27  28
ATOM     28  N   LIG    1        5.456   0.504  -1.125  0.00  0.00    -0.307 NA
ATOM     29  C   LIG    1        6.883   0.167  -1.154  0.00  0.00    +0.104 C 
ATOM     30  C   LIG    1        5.018   0.884  -2.472  0.00  0.00    +0.104 C 
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  22  26
ENDBRANCH  20  21
ENDBRANCH   5  20
TORSDOF 10