REMARK  Name = BDB053474
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.686   0.127   0.193  0.00  0.00    +0.167 A 
ATOM      2  C   LIG    1       -0.347   1.095   0.527  0.00  0.00    +0.179 A 
ATOM      3  N   LIG    1       -1.648   0.863   0.165  0.00  0.00    -0.295 N 
ATOM      4  C   LIG    1       -2.373   1.944   0.616  0.00  0.00    +0.076 A 
ATOM      5  C   LIG    1       -1.439   2.764   1.227  0.00  0.00    +0.140 A 
ATOM      6  C   LIG    1       -1.966  -0.294  -0.516  0.00  0.00    +0.117 A 
ATOM      7  C   LIG    1       -0.987  -1.176  -0.813  0.00  0.00    +0.063 A 
ATOM      8  N   LIG    1       -0.176   2.230   1.170  0.00  0.00    -0.232 NA
ATOM      9  N   LIG    1        0.338  -0.958  -0.455  0.00  0.00    -0.231 NA
ENDROOT
BRANCH   4  10
ATOM     10  C   LIG    1       -3.891   2.239   0.499  0.00  0.00    +0.038 A 
ATOM     11  C   LIG    1       -4.510   3.364   0.993  0.00  0.00    +0.115 A 
ATOM     12  N   LIG    1       -5.833   3.238   0.684  0.00  0.00    -0.284 N 
ATOM     13  H   LIG    1       -6.593   3.879   0.891  0.00  0.00    +0.188 HD
ATOM     14  N   LIG    1       -6.119   2.106   0.022  0.00  0.00    -0.182 NA
ATOM     15  C   LIG    1       -4.934   1.498  -0.090  0.00  0.00    +0.144 A 
ENDBRANCH   4  10
BRANCH   7  16
ATOM     16  C   LIG    1       -1.258  -2.438  -1.542  0.00  0.00    +0.039 C 
ATOM     17  C   LIG    1       -0.247  -2.986  -2.518  0.00  0.00    +0.010 C 
ATOM     18  C   LIG    1       -0.485  -3.690  -1.211  0.00  0.00    +0.010 C 
ENDBRANCH   7  16
BRANCH   1  19
ATOM     19  N   LIG    1        1.987   0.407   0.580  0.00  0.00    -0.290 N 
ATOM     20  H   LIG    1        2.042   1.298   1.070  0.00  0.00    +0.154 HD
BRANCH  19  25
ATOM     21  C   LIG    1        6.848  -0.762   0.834  0.00  0.00    +0.066 C 
ATOM     22  C   LIG    1        5.399  -0.864   0.516  0.00  0.00    +0.049 A 
ATOM     23  N   LIG    1        4.969  -1.939  -0.141  0.00  0.00    -0.214 NA
ATOM     24  S   LIG    1        3.335  -1.810  -0.369  0.00  0.00    +0.027 S 
ATOM     25  C   LIG    1        3.140  -0.292   0.414  0.00  0.00    +0.091 A 
ATOM     26  C   LIG    1        4.395   0.099   0.852  0.00  0.00    +0.055 A 
ENDBRANCH  19  25
ENDBRANCH   1  19
TORSDOF 4