REMARK  Name = BDB046614
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.059  -1.082   1.827  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1       -3.893  -0.805   1.575  0.00  0.00    +0.273 A 
ATOM      3  C   LIG    1       -3.163  -1.487   0.496  0.00  0.00    +0.051 A 
ATOM      4  C   LIG    1       -1.840  -1.135   0.262  0.00  0.00    +0.032 A 
ATOM      5  C   LIG    1       -1.070  -1.790  -0.707  0.00  0.00    +0.037 A 
ATOM      6  N   LIG    1        0.260  -1.421  -0.982  0.00  0.00    -0.335 N 
ATOM      7  H   LIG    1        0.793  -2.198  -1.373  0.00  0.00    +0.147 HD
ATOM      8  C   LIG    1        0.947  -0.785   0.155  0.00  0.00    +0.115 C 
ATOM      9  C   LIG    1        0.151   0.413   0.730  0.00  0.00    +0.096 C 
ATOM     10  C   LIG    1       -1.702  -2.748  -1.509  0.00  0.00    +0.023 A 
ATOM     11  C   LIG    1       -3.039  -3.099  -1.290  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1       -1.261  -0.048   1.067  0.00  0.00    +0.081 A 
ATOM     13  N   LIG    1       -1.904   0.541   2.032  0.00  0.00    -0.175 NA
ATOM     14  C   LIG    1       -3.770  -2.477  -0.278  0.00  0.00    +0.014 A 
ATOM     15  N   LIG    1       -3.184   0.139   2.283  0.00  0.00    -0.242 N 
ATOM     16  H   LIG    1       -3.677   0.635   3.019  0.00  0.00    +0.192 HD
ENDROOT
BRANCH   9  17
ATOM     17  C   LIG    1        0.124   1.689  -0.093  0.00  0.00    -0.018 A 
ATOM     18  C   LIG    1        0.598   2.880   0.458  0.00  0.00    +0.115 A 
ATOM     19  N   LIG    1        0.618   4.069  -0.184  0.00  0.00    -0.263 NA
ATOM     20  C   LIG    1        0.136   4.086  -1.443  0.00  0.00    +0.111 A 
ATOM     21  C   LIG    1       -0.370   2.969  -2.084  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1       -0.378   1.758  -1.397  0.00  0.00    +0.007 A 
ENDBRANCH   9  17
BRANCH   8  23
ATOM     23  C   LIG    1        2.380  -0.447  -0.195  0.00  0.00    -0.008 A 
ATOM     24  C   LIG    1        2.762  -0.020  -1.464  0.00  0.00    +0.116 A 
ATOM     25  N   LIG    1        4.031   0.291  -1.816  0.00  0.00    -0.263 NA
ATOM     26  C   LIG    1        4.971   0.198  -0.854  0.00  0.00    +0.111 A 
ATOM     27  C   LIG    1        4.701  -0.200   0.444  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1        3.389  -0.527   0.775  0.00  0.00    +0.008 A 
ENDBRANCH   8  23
TORSDOF 2