REMARK  Name = BDB012641
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.338   0.177  -0.577  0.00  0.00    -0.328 N 
ATOM      2  C   LIG    1       -1.111  -0.413  -0.438  0.00  0.00    +0.117 A 
ATOM      3  C   LIG    1       -0.200   0.620  -0.545  0.00  0.00    +0.107 A 
ATOM      4  N   LIG    1       -0.864   1.812  -0.744  0.00  0.00    -0.234 NA
ATOM      5  C   LIG    1       -2.141   1.515  -0.760  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        1.253   0.493  -0.472  0.00  0.00    +0.093 A 
ATOM      7  N   LIG    1        1.962   1.345  -1.263  0.00  0.00    -0.251 NA
ATOM      8  C   LIG    1        3.322   1.302  -1.259  0.00  0.00    +0.143 A 
ATOM      9  C   LIG    1        3.986   0.386  -0.448  0.00  0.00    +0.130 A 
ATOM     10  C   LIG    1        3.234  -0.469   0.347  0.00  0.00    +0.089 A 
ATOM     11  N   LIG    1        4.183  -1.202   0.999  0.00  0.00    -0.257 N 
ATOM     12  H   LIG    1        4.069  -1.939   1.684  0.00  0.00    +0.191 HD
ATOM     13  N   LIG    1        5.426  -0.848   0.634  0.00  0.00    -0.067 NA
ATOM     14  N   LIG    1        5.317   0.132  -0.255  0.00  0.00    -0.128 NA
ATOM     15  C   LIG    1        1.841  -0.455   0.369  0.00  0.00    +0.059 A 
ENDBRANCH   3   6
BRANCH   1  16
ATOM     16  C   LIG    1       -3.617  -0.496  -0.587  0.00  0.00    +0.235 C 
BRANCH  16  18
ATOM     17  F   LIG    1       -3.516  -1.151   1.690  0.00  0.00    -0.169 F 
ATOM     18  C   LIG    1       -4.274  -0.512   0.773  0.00  0.00    +0.407 C 
ATOM     19  F   LIG    1       -4.527   0.734   1.225  0.00  0.00    -0.169 F 
ATOM     20  F   LIG    1       -5.459  -1.164   0.707  0.00  0.00    -0.169 F 
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 3