REMARK  Name = BDB017045
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.794   0.129   0.677  0.00  0.00    +0.107 A 
ATOM      2  N   LIG    1        1.554   1.435   1.058  0.00  0.00    -0.234 NA
ATOM      3  C   LIG    1        0.307   1.454   1.475  0.00  0.00    +0.200 A 
ATOM      4  N   LIG    1       -0.272   0.223   1.372  0.00  0.00    -0.336 N 
ATOM      5  C   LIG    1        0.663  -0.639   0.876  0.00  0.00    +0.117 A 
ENDROOT
BRANCH   1   8
ATOM      6  C   LIG    1        5.327   0.019  -0.514  0.00  0.00    +0.062 A 
ATOM      7  C   LIG    1        4.131   0.522  -0.004  0.00  0.00    +0.045 A 
ATOM      8  C   LIG    1        3.063  -0.352   0.148  0.00  0.00    +0.091 A 
ATOM      9  N   LIG    1        3.138  -1.669  -0.179  0.00  0.00    -0.253 NA
ATOM     10  C   LIG    1        4.309  -2.125  -0.671  0.00  0.00    +0.112 A 
ATOM     11  C   LIG    1        5.422  -1.329  -0.856  0.00  0.00    +0.035 A 
BRANCH   6  13
ATOM     12  O   LIG    1        7.591   0.502  -1.151  0.00  0.00    -0.245 OA
ATOM     13  C   LIG    1        6.518   0.874  -0.712  0.00  0.00    +0.337 C 
BRANCH  13  14
ATOM     14  O   LIG    1        6.312   2.151  -0.350  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        7.167   2.595  -0.530  0.00  0.00    +0.295 HD
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   8
BRANCH   4  16
ATOM     16  C   LIG    1       -1.627  -0.119   1.757  0.00  0.00    +0.126 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -2.583  -0.270   0.562  0.00  0.00    +0.009 C 
ATOM     18  C   LIG    1       -3.936  -0.826   1.022  0.00  0.00    +0.005 C 
ATOM     19  C   LIG    1       -4.867  -1.116  -0.159  0.00  0.00    +0.000 C 
ATOM     20  C   LIG    1       -4.612  -0.223  -1.374  0.00  0.00    +0.000 C 
ATOM     21  C   LIG    1       -4.096   1.149  -0.964  0.00  0.00    +0.000 C 
ATOM     22  C   LIG    1       -2.776   1.061  -0.193  0.00  0.00    +0.005 C 
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 5