REMARK  Name = BDB005575
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -3.171  -3.229   1.074  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1       -3.082  -2.042   0.776  0.00  0.00    +0.254 A 
ATOM      3  C   LIG    1       -4.259  -1.133   0.802  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1       -5.573  -1.738   1.221  0.00  0.00    +0.044 C 
ATOM      5  C   LIG    1       -6.767  -0.833   0.899  0.00  0.00    +0.023 C 
ATOM      6  C   LIG    1       -6.459   0.616   1.258  0.00  0.00    +0.102 C 
ATOM      7  N   LIG    1       -5.236   1.034   0.581  0.00  0.00    -0.343 N 
ATOM      8  H   LIG    1       -4.974   1.992   0.793  0.00  0.00    +0.146 HD
ATOM      9  C   LIG    1       -4.144   0.173   0.487  0.00  0.00    +0.045 A 
ATOM     10  C   LIG    1       -2.832   0.703   0.046  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -1.722  -0.156   0.043  0.00  0.00    +0.054 A 
ATOM     12  C   LIG    1       -0.450   0.285  -0.346  0.00  0.00    +0.072 A 
ATOM     13  C   LIG    1       -0.270   1.602  -0.761  0.00  0.00    +0.123 A 
ATOM     14  C   LIG    1       -1.369   2.462  -0.782  0.00  0.00    +0.046 A 
ATOM     15  C   LIG    1       -2.638   2.020  -0.391  0.00  0.00    +0.015 A 
ATOM     16  N   LIG    1       -1.884  -1.493   0.420  0.00  0.00    -0.322 N 
ATOM     17  H   LIG    1       -1.099  -2.130   0.412  0.00  0.00    +0.169 HD
ENDROOT
BRANCH  13  18
ATOM     18  O   LIG    1        0.903   2.176  -1.163  0.00  0.00    -0.491 OA
BRANCH  18  19
ATOM     19  C   LIG    1        2.063   1.350  -1.307  0.00  0.00    +0.244 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.836   1.254   0.021  0.00  0.00    +0.125 C 
BRANCH  20  21
ATOM     21  N   LIG    1        4.052   0.431   0.026  0.00  0.00    -0.299 NA
ATOM     22  C   LIG    1        5.056   0.840  -0.950  0.00  0.00    +0.084 C 
ATOM     23  C   LIG    1        6.410   0.205  -0.610  0.00  0.00    +0.015 C 
ATOM     24  C   LIG    1        6.294  -1.232  -0.094  0.00  0.00    +0.002 C 
ATOM     25  C   LIG    1        4.963  -1.854  -0.491  0.00  0.00    +0.015 C 
ATOM     26  C   LIG    1        3.780  -1.011   0.003  0.00  0.00    +0.084 C 
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  13  18
TORSDOF 4