REMARK  Name = BDB005571
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.603   1.144   0.574  0.00  0.00    -0.284 N 
ATOM      2  C   LIG    1       -1.224   0.957   0.251  0.00  0.00    +0.056 A 
ATOM      3  C   LIG    1       -0.744  -0.339  -0.012  0.00  0.00    +0.020 A 
ATOM      4  C   LIG    1        0.637  -0.525  -0.232  0.00  0.00    +0.015 A 
ATOM      5  C   LIG    1        1.532   0.553  -0.254  0.00  0.00    -0.045 A 
ATOM      6  C   LIG    1        1.038   1.837  -0.034  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1       -1.689  -1.477  -0.032  0.00  0.00    +0.045 A 
ATOM      8  N   LIG    1       -1.244  -2.735  -0.441  0.00  0.00    -0.343 N 
ATOM      9  H   LIG    1       -0.504  -2.679  -1.136  0.00  0.00    +0.146 HD
ATOM     10  C   LIG    1       -2.193  -3.805  -0.726  0.00  0.00    +0.102 C 
ATOM     11  C   LIG    1       -3.304  -3.784   0.315  0.00  0.00    +0.023 C 
ATOM     12  C   LIG    1       -3.967  -2.405   0.367  0.00  0.00    +0.044 C 
ATOM     13  C   LIG    1       -2.969  -1.274   0.327  0.00  0.00    +0.039 A 
ATOM     14  C   LIG    1       -0.321   2.035   0.218  0.00  0.00    +0.027 A 
ATOM     15  C   LIG    1       -3.484   0.079   0.672  0.00  0.00    +0.258 A 
ATOM     16  O   LIG    1       -4.661   0.197   1.017  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   1  17
ATOM     17  C   LIG    1       -3.125   2.464   0.878  0.00  0.00    +0.287 C 
BRANCH  17  19
ATOM     18  C   LIG    1       -3.706   4.525  -0.094  0.00  0.00    +0.196 C 
ATOM     19  O   LIG    1       -3.092   3.262  -0.305  0.00  0.00    -0.362 OA
ENDBRANCH  17  19
ENDBRANCH   1  17
BRANCH   5  20
ATOM     20  C   LIG    1        3.008   0.324  -0.480  0.00  0.00    +0.050 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.755   0.090   0.846  0.00  0.00    +0.088 C 
BRANCH  21  22
ATOM     22  N   LIG    1        5.206  -0.149   0.761  0.00  0.00    -0.308 NA
ATOM     23  C   LIG    1        5.536  -1.375   0.043  0.00  0.00    +0.104 C 
ATOM     24  C   LIG    1        5.938   0.992   0.220  0.00  0.00    +0.104 C 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   5  20
TORSDOF 5