REMARK  Name = BDB046923
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.223  -0.502  -0.406  0.00  0.00    -0.267 OA
ATOM      2  C   LIG    1       -3.168   0.100  -0.245  0.00  0.00    +0.259 A 
ATOM      3  C   LIG    1       -1.867  -0.595  -0.226  0.00  0.00    +0.068 A 
ATOM      4  C   LIG    1       -0.710   0.173  -0.036  0.00  0.00    +0.105 A 
ATOM      5  C   LIG    1        0.500  -0.539  -0.026  0.00  0.00    +0.117 A 
ATOM      6  N   LIG    1        0.557  -1.902  -0.192  0.00  0.00    -0.251 NA
ATOM      7  C   LIG    1       -0.593  -2.581  -0.369  0.00  0.00    +0.112 A 
ATOM      8  N   LIG    1       -0.800   1.574   0.131  0.00  0.00    -0.235 NA
ATOM      9  C   LIG    1       -1.957   2.132   0.106  0.00  0.00    +0.199 A 
ATOM     10  C   LIG    1       -1.828  -1.978  -0.395  0.00  0.00    +0.035 A 
ATOM     11  N   LIG    1       -3.124   1.456  -0.073  0.00  0.00    -0.313 N 
ATOM     12  H   LIG    1       -4.009   1.942  -0.084  0.00  0.00    +0.170 HD
ENDROOT
BRANCH   5  13
ATOM     13  C   LIG    1        1.832   0.079   0.159  0.00  0.00    +0.113 A 
ATOM     14  N   LIG    1        2.056   1.393   0.341  0.00  0.00    -0.172 NA
ATOM     15  N   LIG    1        3.384   1.510   0.463  0.00  0.00    -0.284 N 
ATOM     16  H   LIG    1        3.768   2.437   0.610  0.00  0.00    +0.188 HD
ATOM     17  C   LIG    1        4.050   0.330   0.370  0.00  0.00    +0.105 A 
ATOM     18  C   LIG    1        3.080  -0.621   0.173  0.00  0.00    +0.051 A 
ENDBRANCH   5  13
TORSDOF 1