REMARK  Name = BDB029530
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.855  -0.337   0.776  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -4.762  -0.291   0.237  0.00  0.00    +0.220 C 
ATOM      3  N   LIG    1       -4.493  -0.690  -1.030  0.00  0.00    -0.256 N 
ATOM      4  H   LIG    1       -5.229  -0.925  -1.677  0.00  0.00    +0.157 HD
ATOM      5  C   LIG    1       -3.256  -0.305  -1.431  0.00  0.00    +0.226 C 
ATOM      6  O   LIG    1       -2.889  -0.214  -2.590  0.00  0.00    -0.275 OA
ATOM      7  C   LIG    1       -2.421  -0.020  -0.197  0.00  0.00    +0.058 C 
ATOM      8  C   LIG    1       -1.484   1.173  -0.426  0.00  0.00    +0.035 C 
ATOM      9  C   LIG    1       -0.157   0.752  -1.059  0.00  0.00    +0.107 C 
ATOM     10  N   LIG    1        0.511  -0.267  -0.246  0.00  0.00    -0.315 N 
ATOM     11  C   LIG    1       -0.275  -0.992   0.752  0.00  0.00    +0.107 C 
ATOM     12  C   LIG    1       -1.655  -1.307   0.179  0.00  0.00    +0.035 C 
ATOM     13  C   LIG    1       -3.519   0.309   0.833  0.00  0.00    +0.112 C 
ENDROOT
BRANCH  10  14
ATOM     14  C   LIG    1        1.868  -0.132   0.025  0.00  0.00    +0.121 A 
ATOM     15  N   LIG    1        2.330  -0.505   1.243  0.00  0.00    -0.238 NA
ATOM     16  C   LIG    1        3.656  -0.391   1.510  0.00  0.00    +0.145 A 
ATOM     17  C   LIG    1        4.573   0.082   0.592  0.00  0.00    +0.144 A 
ATOM     18  C   LIG    1        4.120   0.455  -0.668  0.00  0.00    +0.037 A 
ATOM     19  C   LIG    1        2.756   0.340  -0.948  0.00  0.00    +0.046 A 
BRANCH  17  20
ATOM     20  N   LIG    1        5.980   0.175   0.948  0.00  0.00    +0.058 N 
ATOM     21  O   LIG    1        6.762   0.610   0.090  0.00  0.00    -0.126 OA
ATOM     22  O   LIG    1        6.313  -0.181   2.086  0.00  0.00    -0.126 OA
ENDBRANCH  17  20
ENDBRANCH  10  14
TORSDOF 2