REMARK  Name = BDB046618
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.400  -0.918   0.152  0.00  0.00    +0.150 C 
ATOM      2  C   LIG    1        0.065   0.518   0.502  0.00  0.00    +0.098 C 
ATOM      3  C   LIG    1        1.588   0.658   0.402  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1        2.400  -0.543   0.639  0.00  0.00    +0.032 A 
ATOM      5  C   LIG    1        3.783  -0.407   0.688  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1        4.372   0.912   0.420  0.00  0.00    +0.273 A 
ATOM      7  N   LIG    1        3.481   1.928   0.172  0.00  0.00    -0.242 N 
ATOM      8  H   LIG    1        3.862   2.855   0.010  0.00  0.00    +0.192 HD
ATOM      9  O   LIG    1        5.586   1.081   0.418  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1        4.589  -1.506   0.995  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1        3.993  -2.735   1.265  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1        2.601  -2.862   1.208  0.00  0.00    +0.023 A 
ATOM     13  C   LIG    1        1.788  -1.772   0.871  0.00  0.00    +0.037 A 
ATOM     14  N   LIG    1        2.123   1.828   0.196  0.00  0.00    -0.175 NA
ATOM     15  N   LIG    1        0.411  -1.961   0.808  0.00  0.00    -0.333 N 
ATOM     16  H   LIG    1        0.012  -2.194   1.723  0.00  0.00    +0.147 HD
ENDROOT
BRANCH   1  19
ATOM     17  C   LIG    1       -2.833  -1.292  -1.772  0.00  0.00    +0.150 C 
ATOM     18  N   LIG    1       -2.901  -1.264  -0.331  0.00  0.00    -0.336 N 
ATOM     19  C   LIG    1       -1.854  -1.108   0.548  0.00  0.00    +0.131 A 
ATOM     20  N   LIG    1       -2.287  -1.176   1.798  0.00  0.00    -0.239 NA
ATOM     21  C   LIG    1       -3.642  -1.352   1.715  0.00  0.00    +0.130 A 
ATOM     22  C   LIG    1       -4.045  -1.407   0.404  0.00  0.00    +0.106 A 
ENDBRANCH   1  19
BRANCH   2  23
ATOM     23  C   LIG    1       -0.684   1.547  -0.352  0.00  0.00    -0.036 A 
ATOM     24  C   LIG    1       -0.366   1.756  -1.705  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -1.093   2.667  -2.473  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -2.150   3.373  -1.904  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -2.480   3.173  -0.566  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -1.752   2.267   0.206  0.00  0.00    +0.004 A 
ENDBRANCH   2  23
TORSDOF 2