REMARK  Name = BDB045587
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.200  -0.159  -0.577  0.00  0.00    +0.064 A 
ATOM      2  C   LIG    1       -1.892   0.026  -0.087  0.00  0.00    +0.102 A 
ATOM      3  C   LIG    1       -1.637   1.095   0.769  0.00  0.00    +0.067 A 
ATOM      4  N   LIG    1       -0.301   0.990   1.060  0.00  0.00    -0.338 N 
ATOM      5  H   LIG    1        0.221   1.592   1.681  0.00  0.00    +0.167 HD
ATOM      6  C   LIG    1        0.214  -0.090   0.383  0.00  0.00    +0.140 A 
ATOM      7  C   LIG    1       -2.613   2.006   1.178  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1       -3.906   1.811   0.682  0.00  0.00    +0.003 A 
ATOM      9  N   LIG    1       -0.733  -0.699  -0.302  0.00  0.00    -0.227 NA
ATOM     10  C   LIG    1       -4.198   0.750  -0.179  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1        1.612  -0.498   0.483  0.00  0.00    +0.023 A 
ATOM     12  C   LIG    1        2.676   0.309   0.027  0.00  0.00    -0.012 A 
ATOM     13  C   LIG    1        3.996  -0.131   0.245  0.00  0.00    +0.006 A 
ATOM     14  C   LIG    1        4.255  -1.364   0.845  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1        3.201  -2.177   1.246  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        1.888  -1.746   1.066  0.00  0.00    +0.012 A 
BRANCH  12  17
ATOM     17  C   LIG    1        2.440   1.638  -0.654  0.00  0.00    +0.191 C 
BRANCH  17  18
ATOM     18  O   LIG    1        3.438   1.913  -1.630  0.00  0.00    -0.390 OA
ATOM     19  H   LIG    1        3.483   1.130  -2.208  0.00  0.00    +0.210 HD
ENDBRANCH  17  18
ENDBRANCH  12  17
ENDBRANCH   6  11
BRANCH   1  23
ATOM     20  N   LIG    1       -2.552  -2.127  -1.853  0.00  0.00    -0.325 N 
ATOM     21  H   LIG    1       -1.601  -2.003  -1.510  0.00  0.00    +0.145 HD
ATOM     22  H   LIG    1       -2.761  -2.892  -2.477  0.00  0.00    +0.145 HD
ATOM     23  C   LIG    1       -3.551  -1.271  -1.490  0.00  0.00    +0.244 C 
ATOM     24  O   LIG    1       -4.693  -1.421  -1.908  0.00  0.00    -0.270 OA
ENDBRANCH   1  23
TORSDOF 4