REMARK  Name = BDB015408
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.660  -1.125   0.391  0.00  0.00    -0.172 N 
ATOM      2  C   LIG    1        0.724  -1.369   0.461  0.00  0.00    +0.201 C 
ATOM      3  N   LIG    1        1.108  -2.068   1.482  0.00  0.00    -0.253 NA
ATOM      4  C   LIG    1       -0.109  -2.348   2.279  0.00  0.00    +0.166 C 
ATOM      5  C   LIG    1       -1.311  -1.942   1.430  0.00  0.00    +0.158 C 
ENDROOT
BRANCH   2   6
ATOM      6  N   LIG    1        1.530  -0.857  -0.511  0.00  0.00    -0.300 N 
ATOM      7  C   LIG    1        1.805   0.596  -0.428  0.00  0.00    +0.123 C 
ATOM      8  C   LIG    1        3.014   1.005  -1.293  0.00  0.00    +0.103 C 
ATOM      9  N   LIG    1        4.292   0.330  -0.941  0.00  0.00    -0.296 NA
ATOM     10  C   LIG    1        4.014  -1.019  -0.377  0.00  0.00    +0.103 C 
ATOM     11  C   LIG    1        2.712  -1.650  -0.905  0.00  0.00    +0.123 C 
BRANCH   9  12
ATOM     12  C   LIG    1        5.041   1.141   0.045  0.00  0.00    +0.057 C 
ATOM     13  C   LIG    1        5.735   2.327  -0.683  0.00  0.00    +0.019 C 
ATOM     14  C   LIG    1        6.962   1.424  -0.911  0.00  0.00    +0.003 C 
ATOM     15  C   LIG    1        6.467   0.564   0.267  0.00  0.00    +0.019 C 
ENDBRANCH   9  12
ENDBRANCH   2   6
BRANCH   1  17
ATOM     16  O   LIG    1       -0.912   0.041  -1.919  0.00  0.00    -0.150 OA
ATOM     17  S   LIG    1       -1.530  -0.935  -1.046  0.00  0.00    +0.077 S 
ATOM     18  O   LIG    1       -1.893  -2.252  -1.533  0.00  0.00    -0.150 OA
BRANCH  17  19
ATOM     19  C   LIG    1       -3.027  -0.163  -0.450  0.00  0.00    +0.109 A 
ATOM     20  C   LIG    1       -4.234  -0.871  -0.469  0.00  0.00    +0.032 A 
ATOM     21  C   LIG    1       -5.363  -0.226   0.006  0.00  0.00    -0.042 A 
ATOM     22  C   LIG    1       -6.752  -0.770   0.125  0.00  0.00    +0.036 C 
ATOM     23  C   LIG    1       -7.564   0.522   0.297  0.00  0.00    +0.009 C 
ATOM     24  C   LIG    1       -6.639   1.537   0.983  0.00  0.00    +0.036 C 
ATOM     25  C   LIG    1       -5.298   1.086   0.493  0.00  0.00    -0.044 A 
ATOM     26  C   LIG    1       -4.104   1.789   0.515  0.00  0.00    +0.006 A 
ATOM     27  C   LIG    1       -2.957   1.160   0.029  0.00  0.00    +0.029 A 
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 4