REMARK  Name = BDB012647
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.287  -0.394   0.853  0.00  0.00    -0.305 N 
ATOM      2  C   LIG    1       -0.224   0.030   0.079  0.00  0.00    +0.122 A 
ATOM      3  C   LIG    1        0.886   0.026   0.902  0.00  0.00    +0.107 A 
ATOM      4  N   LIG    1        0.535  -0.397   2.159  0.00  0.00    -0.234 NA
ATOM      5  C   LIG    1       -0.755  -0.636   2.101  0.00  0.00    +0.204 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        2.241   0.420   0.521  0.00  0.00    +0.093 A 
ATOM      7  N   LIG    1        3.000   0.953   1.517  0.00  0.00    -0.251 NA
ATOM      8  C   LIG    1        4.277   1.348   1.263  0.00  0.00    +0.143 A 
ATOM      9  C   LIG    1        4.805   1.207  -0.018  0.00  0.00    +0.130 A 
ATOM     10  C   LIG    1        4.006   0.659  -1.012  0.00  0.00    +0.089 A 
ATOM     11  N   LIG    1        4.825   0.663  -2.104  0.00  0.00    -0.257 N 
ATOM     12  H   LIG    1        4.642   0.342  -3.047  0.00  0.00    +0.191 HD
ATOM     13  N   LIG    1        6.032   1.179  -1.823  0.00  0.00    -0.067 NA
ATOM     14  N   LIG    1        6.033   1.516  -0.539  0.00  0.00    -0.128 NA
ATOM     15  C   LIG    1        2.695   0.244  -0.789  0.00  0.00    +0.059 A 
ENDBRANCH   3   6
BRANCH   1  20
ATOM     16 CL   LIG    1       -6.958  -1.040  -0.845  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1       -5.321  -0.853  -0.354  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1       -4.371  -0.403  -1.265  0.00  0.00    +0.022 A 
ATOM     19  C   LIG    1       -3.037  -0.250  -0.869  0.00  0.00    +0.027 A 
ATOM     20  C   LIG    1       -2.647  -0.548   0.447  0.00  0.00    +0.048 A 
ATOM     21  C   LIG    1       -3.617  -1.000   1.355  0.00  0.00    +0.027 A 
ATOM     22  C   LIG    1       -4.949  -1.152   0.953  0.00  0.00    +0.022 A 
ENDBRANCH   1  20
TORSDOF 2