REMARK  Name = BDB045139
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.326  -0.464  -0.081  0.00  0.00    -0.004 A 
ATOM      2  C   LIG    1       -0.939  -1.625  -0.750  0.00  0.00    +0.013 A 
ATOM      3  C   LIG    1        0.410  -1.833  -1.046  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1        1.378  -0.892  -0.681  0.00  0.00    +0.122 A 
ATOM      5  C   LIG    1        0.984   0.265  -0.009  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -0.367   0.481   0.291  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   8
ATOM      7  N   LIG    1       -3.681  -1.045  -0.064  0.00  0.00    -0.093 NA
ATOM      8  C   LIG    1       -2.741  -0.210   0.247  0.00  0.00    +0.160 C 
BRANCH   7   9
ATOM      9  O   LIG    1       -4.907  -0.525   0.379  0.00  0.00    -0.394 OA
BRANCH   9  10
ATOM     10  C   LIG    1       -5.941  -1.444   0.026  0.00  0.00    +0.263 C 
BRANCH  10  11
ATOM     11  C   LIG    1       -7.287  -0.893   0.486  0.00  0.00    +0.043 C 
BRANCH  11  13
ATOM     12  C   LIG    1       -9.012   0.925   0.220  0.00  0.00    +0.004 C 
ATOM     13  C   LIG    1       -7.653   0.411  -0.227  0.00  0.00    -0.000 C 
ENDBRANCH  11  13
ENDBRANCH  10  11
ENDBRANCH   9  10
ENDBRANCH   7   9
ENDBRANCH   1   8
BRANCH   4  14
ATOM     14  O   LIG    1        2.652  -1.235  -1.032  0.00  0.00    -0.477 OA
BRANCH  14  15
ATOM     15  C   LIG    1        3.723  -0.318  -0.773  0.00  0.00    +0.285 C 
BRANCH  15  16
ATOM     16  C   LIG    1        4.785  -0.605  -1.827  0.00  0.00    +0.346 C 
ATOM     17  O   LIG    1        5.178   0.177  -2.680  0.00  0.00    -0.247 OA
BRANCH  16  18
ATOM     18  O   LIG    1        5.290  -1.857  -1.786  0.00  0.00    -0.478 OA
ATOM     19  H   LIG    1        5.902  -1.887  -2.551  0.00  0.00    +0.295 HD
ENDBRANCH  16  18
ENDBRANCH  15  16
BRANCH  15  20
ATOM     20  C   LIG    1        4.284  -0.538   0.638  0.00  0.00    +0.091 C 
BRANCH  20  21
ATOM     21  C   LIG    1        5.290   0.510   1.047  0.00  0.00    -0.043 A 
ATOM     22  C   LIG    1        6.664   0.257   0.934  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1        7.595   1.233   1.292  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        7.162   2.470   1.767  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        5.798   2.731   1.885  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        4.866   1.756   1.526  0.00  0.00    +0.004 A 
ENDBRANCH  20  21
ENDBRANCH  15  20
ENDBRANCH  14  15
ENDBRANCH   4  14
TORSDOF 11