REMARK  Name = BDB031579
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.105   0.427   0.426  0.00  0.00    -0.300 N 
ATOM      2  H   LIG    1        0.999   1.385   0.111  0.00  0.00    +0.150 HD
ATOM      3  C   LIG    1       -0.075  -0.275   0.581  0.00  0.00    +0.247 C 
ATOM      4  O   LIG    1       -0.159  -1.255   1.314  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -1.213   0.253  -0.174  0.00  0.00    +0.062 A 
ATOM      6  C   LIG    1       -2.587  -0.155  -0.054  0.00  0.00    +0.012 A 
ATOM      7  C   LIG    1       -3.337   0.598  -0.959  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1       -4.723   0.457  -1.103  0.00  0.00    +0.026 A 
ATOM      9  C   LIG    1       -5.367  -0.483  -0.295  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -4.652  -1.252   0.618  0.00  0.00    +0.001 A 
ATOM     11  N   LIG    1       -2.462   1.428  -1.615  0.00  0.00    -0.360 N 
ATOM     12  H   LIG    1       -2.729   2.083  -2.337  0.00  0.00    +0.165 HD
ATOM     13  C   LIG    1       -3.268  -1.098   0.749  0.00  0.00    +0.011 A 
ATOM     14  C   LIG    1       -1.185   1.229  -1.159  0.00  0.00    +0.096 A 
ENDBRANCH   3   5
BRANCH   1  21
ATOM     15  O   LIG    1        5.545   0.054  -1.227  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1        4.645  -0.006  -0.393  0.00  0.00    +0.219 C 
ATOM     17  N   LIG    1        4.441   1.019   0.493  0.00  0.00    -0.255 N 
ATOM     18  H   LIG    1        5.040   1.819   0.337  0.00  0.00    +0.158 HD
ATOM     19  C   LIG    1        3.242   1.307   1.092  0.00  0.00    +0.240 C 
ATOM     20  O   LIG    1        2.933   2.473   1.339  0.00  0.00    -0.273 OA
ATOM     21  C   LIG    1        2.256   0.148   1.276  0.00  0.00    +0.160 C 
ATOM     22  C   LIG    1        2.932  -1.192   0.983  0.00  0.00    +0.041 C 
ATOM     23  C   LIG    1        3.657  -1.146  -0.353  0.00  0.00    +0.098 C 
ENDBRANCH   1  21
TORSDOF 2