REMARK  Name = BDB044071
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.146  -3.240  -2.418  0.00  0.00    +0.064 C 
ATOM      2  C   LIG    1       -0.024  -2.032  -1.563  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1       -0.838  -1.474  -0.591  0.00  0.00    +0.028 A 
ATOM      4  C   LIG    1       -0.177  -0.302  -0.101  0.00  0.00    +0.017 A 
ATOM      5  C   LIG    1        1.004  -0.152  -0.818  0.00  0.00    +0.055 A 
ATOM      6  N   LIG    1        1.076  -1.216  -1.685  0.00  0.00    -0.357 N 
ATOM      7  H   LIG    1        1.850  -1.376  -2.316  0.00  0.00    +0.166 HD
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1       -2.224  -2.047  -0.151  0.00  0.00    +0.068 A 
ATOM      9  N   LIG    1       -2.803  -3.199  -0.603  0.00  0.00    -0.277 N 
ATOM     10  H   LIG    1       -2.433  -3.858  -1.275  0.00  0.00    +0.189 HD
ATOM     11  N   LIG    1       -4.005  -3.462  -0.058  0.00  0.00    -0.182 NA
ATOM     12  C   LIG    1       -4.200  -2.428   0.762  0.00  0.00    +0.135 A 
ATOM     13  C   LIG    1       -3.126  -1.518   0.744  0.00  0.00    +0.049 A 
ENDBRANCH   3   8
BRANCH   4  14
ATOM     14  C   LIG    1       -0.579   0.628   0.940  0.00  0.00    -0.015 A 
ATOM     15  C   LIG    1       -0.497   0.250   2.286  0.00  0.00    +0.008 A 
ATOM     16  C   LIG    1       -0.877   1.142   3.290  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1       -1.338   2.414   2.953  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -1.419   2.797   1.614  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1       -1.040   1.907   0.608  0.00  0.00    +0.008 A 
ENDBRANCH   4  14
BRANCH   5  20
ATOM     20  C   LIG    1        2.071   0.849  -0.765  0.00  0.00    -0.001 A 
ATOM     21  C   LIG    1        2.455   1.534  -1.925  0.00  0.00    +0.010 A 
ATOM     22  C   LIG    1        3.479   2.484  -1.883  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1        4.128   2.756  -0.680  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        3.753   2.081   0.480  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        2.730   1.131   0.437  0.00  0.00    +0.010 A 
ENDBRANCH   5  20
TORSDOF 3