REMARK  Name = BDB029419
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.816   0.036   0.037  0.00  0.00    +0.000 A 
ATOM      2  C   LIG    1       -0.045   1.087  -0.259  0.00  0.00    +0.121 A 
ATOM      3  N   LIG    1       -1.392   0.979  -0.388  0.00  0.00    -0.240 NA
ATOM      4  C   LIG    1       -1.966  -0.230  -0.213  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1       -1.173  -1.343   0.067  0.00  0.00    +0.044 A 
ATOM      6  C   LIG    1        0.212  -1.211   0.196  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1  15
ATOM      7  O   LIG    1        7.881  -0.916  -1.000  0.00  0.00    -0.275 OA
ATOM      8  C   LIG    1        6.790  -0.522  -0.622  0.00  0.00    +0.222 C 
ATOM      9  N   LIG    1        5.560  -1.024  -1.028  0.00  0.00    -0.285 N 
ATOM     10  H   LIG    1        5.471  -1.778  -1.692  0.00  0.00    +0.155 HD
ATOM     11  C   LIG    1        4.515  -0.357  -0.409  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1        5.022   0.624   0.438  0.00  0.00    -0.017 A 
ATOM     13  C   LIG    1        4.172   1.429   1.168  0.00  0.00    +0.006 A 
ATOM     14  C   LIG    1        2.794   1.223   1.025  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1        2.268   0.225   0.164  0.00  0.00    -0.015 A 
ATOM     16  C   LIG    1        3.163  -0.579  -0.566  0.00  0.00    +0.032 A 
ATOM     17  C   LIG    1        6.521   0.607   0.380  0.00  0.00    +0.133 C 
ENDBRANCH   1  15
BRANCH   4  18
ATOM     18  N   LIG    1       -3.342  -0.349  -0.362  0.00  0.00    -0.313 N 
ATOM     19  C   LIG    1       -4.091  -1.239   0.540  0.00  0.00    +0.121 C 
ATOM     20  C   LIG    1       -5.337  -0.537   1.129  0.00  0.00    +0.100 C 
ATOM     21  N   LIG    1       -6.269   0.025   0.135  0.00  0.00    -0.313 NA
ATOM     22  H   LIG    1       -6.787   0.786   0.572  0.00  0.00    +0.122 HD
ATOM     23  C   LIG    1       -5.547   0.537  -1.047  0.00  0.00    +0.100 C 
ATOM     24  C   LIG    1       -4.051   0.853  -0.825  0.00  0.00    +0.121 C 
ENDBRANCH   4  18
TORSDOF 2