REMARK  Name = BDB050058
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.345  -0.114  -0.308  0.00  0.00    +0.233 A 
ATOM      2  N   LIG    1       -2.069   0.028  -0.179  0.00  0.00    -0.127 NA
ATOM      3  N   LIG    1       -1.387  -0.374  -1.298  0.00  0.00    -0.209 N 
ATOM      4  C   LIG    1       -1.941  -0.890  -2.464  0.00  0.00    +0.155 A 
ATOM      5  N   LIG    1       -1.019  -1.202  -3.348  0.00  0.00    -0.234 NA
ATOM      6  C   LIG    1        0.168  -0.885  -2.742  0.00  0.00    +0.141 A 
ATOM      7  C   LIG    1       -3.349  -1.005  -2.526  0.00  0.00    +0.053 A 
ATOM      8  C   LIG    1       -0.013  -0.360  -1.473  0.00  0.00    +0.093 A 
ATOM      9  C   LIG    1       -4.086  -0.630  -1.474  0.00  0.00    +0.072 A 
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1        0.975   0.091  -0.490  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1        2.167  -0.636  -0.319  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1        3.133  -0.202   0.610  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1        2.886   0.956   1.345  0.00  0.00    +0.046 A 
ATOM     14  N   LIG    1        3.972   1.155   2.167  0.00  0.00    -0.361 N 
ATOM     15  H   LIG    1        4.067   1.925   2.814  0.00  0.00    +0.165 HD
ATOM     16  C   LIG    1        4.896   0.162   1.978  0.00  0.00    +0.083 A 
ATOM     17  C   LIG    1        1.716   1.705   1.196  0.00  0.00    +0.027 A 
ATOM     18  C   LIG    1        4.404  -0.694   1.019  0.00  0.00    +0.027 A 
ATOM     19  C   LIG    1        0.771   1.252   0.266  0.00  0.00    +0.012 A 
ENDBRANCH   8  10
BRANCH   1  21
ATOM     20  C   LIG    1       -3.675   0.712   1.881  0.00  0.00    +0.279 C 
ATOM     21  O   LIG    1       -4.234   0.210   0.662  0.00  0.00    -0.479 OA
ENDBRANCH   1  21
TORSDOF 2