REMARK  Name = BDB001884
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.385  -0.217  -0.157  0.00  0.00    -0.280 N 
ATOM      2  C   LIG    1       -0.202   0.539  -0.135  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1        0.904  -0.155   0.308  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1        0.695  -0.904   0.949  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1       -0.176   1.727  -0.444  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        2.252   0.270   0.264  0.00  0.00    +0.037 A 
ATOM      7  C   LIG    1        2.676   1.334  -0.555  0.00  0.00    +0.054 A 
ATOM      8  C   LIG    1        4.059   1.646  -0.527  0.00  0.00    +0.102 A 
ATOM      9  C   LIG    1        5.010   0.863   0.337  0.00  0.00    +0.100 A 
ATOM     10  N   LIG    1        6.280   1.286   0.248  0.00  0.00    -0.191 NA
ATOM     11  S   LIG    1        6.275   2.554  -0.827  0.00  0.00    +0.116 S 
ATOM     12  C   LIG    1        4.547  -0.204   1.137  0.00  0.00    +0.032 A 
ATOM     13  N   LIG    1        4.665   2.616  -1.230  0.00  0.00    -0.191 NA
ATOM     14  C   LIG    1        3.166  -0.470   1.067  0.00  0.00    +0.025 A 
ENDBRANCH   3   6
BRANCH   1  16
ATOM     15  C   LIG    1       -1.956  -2.244   1.158  0.00  0.00    +0.028 C 
ATOM     16  C   LIG    1       -1.406  -1.702  -0.161  0.00  0.00    +0.072 C 
ATOM     17  C   LIG    1       -2.148  -2.292  -1.364  0.00  0.00    +0.028 C 
ENDBRANCH   1  16
BRANCH   1  18
ATOM     18  C   LIG    1       -2.678   0.496  -0.299  0.00  0.00    +0.072 C 
ATOM     19  C   LIG    1       -2.858   1.147  -1.672  0.00  0.00    +0.028 C 
ATOM     20  C   LIG    1       -2.916   1.501   0.834  0.00  0.00    +0.028 C 
ENDBRANCH   1  18
TORSDOF 3