REMARK  Name = BDB044008
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.720  -0.741   2.065  0.00  0.00    +0.149 C 
ATOM      2  N   LIG    1        0.875   0.161   0.944  0.00  0.00    -0.338 N 
ATOM      3  C   LIG    1        1.993   0.316   0.149  0.00  0.00    +0.074 A 
ATOM      4  C   LIG    1        1.772   1.447  -0.611  0.00  0.00    +0.068 A 
ATOM      5  N   LIG    1        2.737   1.946  -1.450  0.00  0.00    -0.320 N 
ATOM      6  H   LIG    1        2.563   2.787  -1.983  0.00  0.00    +0.169 HD
ATOM      7  C   LIG    1        3.980   1.361  -1.567  0.00  0.00    +0.257 A 
ATOM      8  C   LIG    1        4.247   0.111  -0.782  0.00  0.00    +0.048 A 
ATOM      9  C   LIG    1        5.489  -0.521  -0.929  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        5.750  -1.706  -0.245  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        4.769  -2.262   0.573  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        3.527  -1.634   0.724  0.00  0.00    +0.011 A 
ATOM     13  O   LIG    1        4.839   1.842  -2.302  0.00  0.00    -0.267 OA
ATOM     14  C   LIG    1        0.480   1.929  -0.364  0.00  0.00    +0.058 A 
ATOM     15  C   LIG    1        3.253  -0.430   0.067  0.00  0.00    +0.013 A 
ATOM     16  C   LIG    1       -0.099   1.075   0.559  0.00  0.00    +0.107 A 
ENDROOT
BRANCH  16  17
ATOM     17  C   LIG    1       -1.436   1.168   1.106  0.00  0.00    +0.263 C 
ATOM     18  N   LIG    1       -2.316   0.110   0.836  0.00  0.00    -0.295 N 
ATOM     19  C   LIG    1       -3.683   0.247   1.341  0.00  0.00    +0.123 C 
ATOM     20  C   LIG    1       -4.553   1.133   0.433  0.00  0.00    +0.100 C 
ATOM     21  N   LIG    1       -5.129   0.526  -0.770  0.00  0.00    -0.314 NA
ATOM     22  H   LIG    1       -6.084   0.220  -0.584  0.00  0.00    +0.122 HD
ATOM     23  C   LIG    1       -4.392  -0.551  -1.419  0.00  0.00    +0.082 C 
ATOM     24  C   LIG    1       -2.877  -0.380  -1.540  0.00  0.00    +0.034 C 
ATOM     25  C   LIG    1       -2.136  -0.818  -0.277  0.00  0.00    +0.109 C 
ATOM     26  O   LIG    1       -1.775   2.132   1.790  0.00  0.00    -0.268 OA
ENDBRANCH  16  17
TORSDOF 1