REMARK  Name = BDB064129
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.729  -1.097  -0.179  0.00  0.00    +0.074 A 
ATOM      2  C   LIG    1       -0.405  -2.462  -0.087  0.00  0.00    +0.160 A 
ATOM      3  N   LIG    1        0.873  -2.886  -0.060  0.00  0.00    -0.132 NA
ATOM      4  N   LIG    1        1.901  -1.979  -0.125  0.00  0.00    -0.147 NA
ATOM      5  C   LIG    1        1.647  -0.650  -0.193  0.00  0.00    +0.099 A 
ATOM      6  C   LIG    1        0.335  -0.191  -0.233  0.00  0.00    +0.057 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1       -3.221  -1.188   1.932  0.00  0.00    +0.028 C 
ATOM      8  C   LIG    1       -2.543  -0.128   1.077  0.00  0.00    +0.071 C 
ATOM      9  N   LIG    1       -2.087  -0.687  -0.223  0.00  0.00    -0.324 N 
ATOM     10  C   LIG    1       -2.427   0.265  -1.299  0.00  0.00    +0.105 C 
ATOM     11  C   LIG    1       -2.891   1.532  -0.588  0.00  0.00    +0.021 C 
ATOM     12  C   LIG    1       -3.522   0.983   0.677  0.00  0.00    +0.023 C 
ENDBRANCH   1   9
BRANCH   5  13
ATOM     13  C   LIG    1        2.829   0.230  -0.268  0.00  0.00    +0.044 A 
ATOM     14  C   LIG    1        2.922   1.471   0.390  0.00  0.00    +0.126 A 
ATOM     15  C   LIG    1        4.064   2.274   0.286  0.00  0.00    +0.046 A 
ATOM     16  C   LIG    1        5.148   1.848  -0.478  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1        5.092   0.622  -1.132  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        3.949  -0.175  -1.025  0.00  0.00    +0.014 A 
BRANCH  14  19
ATOM     19  O   LIG    1        1.886   1.911   1.174  0.00  0.00    -0.506 OA
ATOM     20  H   LIG    1        2.186   2.679   1.687  0.00  0.00    +0.292 HD
ENDBRANCH  14  19
ENDBRANCH   5  13
BRANCH   2  21
ATOM     21  N   LIG    1       -1.424  -3.420   0.036  0.00  0.00    -0.340 N 
ATOM     22  H   LIG    1       -1.031  -4.345  -0.085  0.00  0.00    +0.144 HD
ATOM     23  H   LIG    1       -2.186  -3.178  -0.591  0.00  0.00    +0.144 HD
ENDBRANCH   2  21
TORSDOF 4