REMARK  Name = BDB025517
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.194   0.483   0.681  0.00  0.00    +0.257 C 
ATOM      2  N   LIG    1       -1.546   0.232   0.328  0.00  0.00    -0.185 N 
ATOM      3  C   LIG    1       -2.183  -0.029  -0.906  0.00  0.00    +0.126 A 
ATOM      4  C   LIG    1       -3.457  -0.446  -0.598  0.00  0.00    +0.020 A 
ATOM      5  C   LIG    1       -4.603  -0.922  -1.414  0.00  0.00    +0.068 C 
ATOM      6  C   LIG    1       -5.910  -0.753  -0.613  0.00  0.00    +0.165 C 
ATOM      7  O   LIG    1       -5.795  -1.318   0.706  0.00  0.00    -0.373 OA
ATOM      8  C   LIG    1       -4.840  -0.600   1.529  0.00  0.00    +0.217 C 
ATOM      9  C   LIG    1       -3.572  -0.309   0.795  0.00  0.00    +0.094 A 
ATOM     10  N   LIG    1       -2.464   0.165   1.355  0.00  0.00    -0.165 NA
ATOM     11  O   LIG    1        0.070   0.826   1.833  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  19
ATOM     12  C   LIG    1        5.774   0.082   0.959  0.00  0.00    +0.045 C 
ATOM     13  C   LIG    1        4.524   0.831   0.578  0.00  0.00    -0.029 A 
ATOM     14  C   LIG    1        3.300   0.161   0.354  0.00  0.00    +0.034 A 
ATOM     15  N   LIG    1        3.251  -1.245   0.410  0.00  0.00    -0.343 N 
ATOM     16  H   LIG    1        3.886  -1.608   1.117  0.00  0.00    +0.146 HD
ATOM     17  C   LIG    1        1.929  -1.842   0.491  0.00  0.00    +0.102 C 
ATOM     18  C   LIG    1        1.044  -1.275  -0.607  0.00  0.00    +0.036 C 
ATOM     19  C   LIG    1        0.852   0.231  -0.395  0.00  0.00    +0.113 C 
ATOM     20  C   LIG    1        2.181   0.909  -0.070  0.00  0.00    -0.014 A 
ATOM     21  C   LIG    1        2.272   2.309  -0.182  0.00  0.00    +0.006 A 
ATOM     22  C   LIG    1        3.468   2.964   0.090  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1        4.589   2.229   0.461  0.00  0.00    +0.005 A 
ENDBRANCH   1  19
BRANCH   3  24
ATOM     24  N   LIG    1       -1.636   0.099  -2.144  0.00  0.00    -0.343 N 
ATOM     25  H   LIG    1       -2.245  -0.109  -2.937  0.00  0.00    +0.144 HD
ATOM     26  H   LIG    1       -1.127   0.957  -2.361  0.00  0.00    +0.144 HD
ENDBRANCH   3  24
TORSDOF 2