REMARK  Name = BDB017121
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.902  -0.308  -0.487  0.00  0.00    +0.018 A 
ATOM      2  C   LIG    1        1.285  -0.058   0.837  0.00  0.00    +0.015 A 
ATOM      3  C   LIG    1        2.590  -0.339   1.258  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1        3.522  -0.854   0.358  0.00  0.00    +0.128 A 
ATOM      5  C   LIG    1        3.147  -1.126  -0.958  0.00  0.00    +0.047 A 
ATOM      6  C   LIG    1        1.844  -0.844  -1.379  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1       -0.692  -0.153  -2.209  0.00  0.00    -0.292 OA
ATOM      8  C   LIG    1       -0.478  -0.029  -1.003  0.00  0.00    +0.167 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -1.571   0.414  -0.034  0.00  0.00    +0.074 C 
ATOM     10  C   LIG    1       -2.957   0.017  -0.583  0.00  0.00    +0.095 C 
ATOM     11  N   LIG    1       -3.995   0.699   0.200  0.00  0.00    -0.301 NA
ATOM     12  C   LIG    1       -3.973   2.150  -0.056  0.00  0.00    +0.084 C 
ATOM     13  C   LIG    1       -2.588   2.700  -0.426  0.00  0.00    +0.016 C 
ATOM     14  C   LIG    1       -1.467   1.923   0.254  0.00  0.00    +0.014 C 
BRANCH  11  15
ATOM     15  C   LIG    1       -5.340   0.160  -0.030  0.00  0.00    +0.088 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -5.491  -1.190   0.612  0.00  0.00    +0.003 C 
ATOM     17  C   LIG    1       -6.755  -1.547   1.355  0.00  0.00    +0.005 C 
ATOM     18  C   LIG    1       -5.476  -1.334   2.114  0.00  0.00    +0.005 C 
ENDBRANCH  15  16
ENDBRANCH  11  15
ENDBRANCH   8   9
ENDBRANCH   1   8
BRANCH   4  19
ATOM     19  O   LIG    1        4.774  -1.137   0.855  0.00  0.00    -0.456 OA
BRANCH  19  20
ATOM     20  C   LIG    1        5.856  -0.785   0.082  0.00  0.00    +0.128 A 
ATOM     21  C   LIG    1        6.008   0.493  -0.463  0.00  0.00    +0.046 A 
ATOM     22  C   LIG    1        7.148   0.797  -1.208  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1        8.139  -0.167  -1.394  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        7.996  -1.435  -0.829  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1        6.857  -1.742  -0.084  0.00  0.00    +0.046 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 6