REMARK  Name = BDB014260
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.543   0.235   1.153  0.00  0.00    +0.056 A 
ATOM      2  N   LIG    1        2.119   0.072  -0.087  0.00  0.00    -0.353 N 
ATOM      3  H   LIG    1        1.624   0.130  -0.972  0.00  0.00    +0.166 HD
ATOM      4  C   LIG    1        3.464  -0.186   0.042  0.00  0.00    +0.079 A 
ATOM      5  C   LIG    1        3.755  -0.160   1.399  0.00  0.00    +0.090 A 
ATOM      6  N   LIG    1        5.001  -0.355   1.891  0.00  0.00    -0.253 NA
ATOM      7  C   LIG    1        5.959  -0.556   0.963  0.00  0.00    +0.112 A 
ATOM      8  C   LIG    1        5.757  -0.607  -0.409  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1        4.462  -0.442  -0.903  0.00  0.00    +0.086 A 
ATOM     10  C   LIG    1        2.550   0.095   2.092  0.00  0.00    +0.054 A 
ENDROOT
BRANCH   9  11
ATOM     11  C   LIG    1        4.123  -0.473  -2.340  0.00  0.00    +0.339 C 
ATOM     12  O   LIG    1        3.192   0.158  -2.811  0.00  0.00    -0.245 OA
BRANCH  11  13
ATOM     13  O   LIG    1        4.909  -1.292  -3.069  0.00  0.00    -0.477 OA
ATOM     14  H   LIG    1        5.456  -1.909  -2.550  0.00  0.00    +0.295 HD
ENDBRANCH  11  13
ENDBRANCH   9  11
BRANCH   1  15
ATOM     15  C   LIG    1        0.089   0.529   1.318  0.00  0.00    +0.282 C 
BRANCH  15  16
ATOM     16  O   LIG    1       -0.583  -0.075   0.216  0.00  0.00    -0.486 OA
BRANCH  16  20
ATOM     17  C   LIG    1       -4.970   1.595   1.885  0.00  0.00    +0.044 C 
ATOM     18  C   LIG    1       -4.114   0.903   0.865  0.00  0.00    -0.047 A 
ATOM     19  C   LIG    1       -2.730   0.785   1.065  0.00  0.00    +0.049 A 
ATOM     20  C   LIG    1       -1.936   0.109   0.137  0.00  0.00    +0.122 A 
ATOM     21  C   LIG    1       -2.533  -0.458  -0.993  0.00  0.00    +0.049 A 
ATOM     22  C   LIG    1       -3.912  -0.351  -1.211  0.00  0.00    -0.047 A 
ATOM     23  C   LIG    1       -4.543  -0.998  -2.407  0.00  0.00    +0.044 C 
ATOM     24  C   LIG    1       -4.698   0.318  -0.266  0.00  0.00    +0.007 A 
ENDBRANCH  16  20
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 5