REMARK  Name = BDB045761
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.921  -0.332  -0.179  0.00  0.00    +0.127 A 
ATOM      2  C   LIG    1       -1.619  -0.852  -0.202  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1       -0.486  -0.000  -0.131  0.00  0.00    +0.010 A 
ATOM      4  C   LIG    1       -0.710   1.397  -0.036  0.00  0.00    +0.076 A 
ATOM      5  N   LIG    1        0.275   2.296   0.036  0.00  0.00    -0.212 NA
ATOM      6  C   LIG    1        1.532   1.829   0.017  0.00  0.00    +0.221 A 
ATOM      7  C   LIG    1        1.912   0.493  -0.072  0.00  0.00    +0.044 A 
ATOM      8  C   LIG    1        3.265   0.089  -0.086  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1        3.611  -1.256  -0.176  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        2.610  -2.212  -0.253  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        1.266  -1.822  -0.239  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1       -2.011   1.884  -0.016  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1        0.876  -0.461  -0.149  0.00  0.00    -0.004 A 
ATOM     14  C   LIG    1       -3.123   1.042  -0.086  0.00  0.00    +0.035 A 
ENDROOT
BRANCH   1  16
ATOM     15  O   LIG    1       -3.847  -2.453  -0.336  0.00  0.00    -0.126 OA
ATOM     16  N   LIG    1       -4.074  -1.238  -0.254  0.00  0.00    +0.056 N 
ATOM     17  O   LIG    1       -5.205  -0.733  -0.230  0.00  0.00    -0.126 OA
ENDBRANCH   1  16
BRANCH   6  18
ATOM     18  O   LIG    1        2.454   2.825   0.095  0.00  0.00    -0.492 OA
ATOM     19  H   LIG    1        1.862   3.597   0.143  0.00  0.00    +0.294 HD
ENDBRANCH   6  18
TORSDOF 2