REMARK  Name = BDB017119
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.823   0.589  -0.973  0.00  0.00    +0.021 A 
ATOM      2  C   LIG    1        1.746  -0.426  -0.707  0.00  0.00    +0.057 A 
ATOM      3  C   LIG    1        2.675  -0.256   0.318  0.00  0.00    +0.129 A 
ATOM      4  C   LIG    1        2.669   0.909   1.091  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1        1.760   1.929   0.806  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        0.840   1.775  -0.233  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1        0.322   0.111  -3.188  0.00  0.00    -0.292 OA
ATOM      8  C   LIG    1       -0.137   0.385  -2.080  0.00  0.00    +0.168 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -1.639   0.523  -1.845  0.00  0.00    +0.074 C 
ATOM     10  C   LIG    1       -2.100   0.044  -0.458  0.00  0.00    +0.095 C 
ATOM     11  N   LIG    1       -3.548   0.236  -0.342  0.00  0.00    -0.301 NA
ATOM     12  C   LIG    1       -3.937   1.653  -0.414  0.00  0.00    +0.084 C 
ATOM     13  C   LIG    1       -2.885   2.578  -1.038  0.00  0.00    +0.016 C 
ATOM     14  C   LIG    1       -2.148   1.926  -2.201  0.00  0.00    +0.014 C 
BRANCH  11  15
ATOM     15  C   LIG    1       -4.139  -0.412   0.833  0.00  0.00    +0.088 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -4.104  -1.907   0.703  0.00  0.00    +0.003 C 
ATOM     17  C   LIG    1       -4.915  -2.607  -0.361  0.00  0.00    +0.005 C 
ATOM     18  C   LIG    1       -5.306  -2.739   1.084  0.00  0.00    +0.005 C 
ENDBRANCH  15  16
ENDBRANCH  11  15
ENDBRANCH   8   9
ENDBRANCH   1   8
BRANCH   3  19
ATOM     19  O   LIG    1        3.531  -1.304   0.569  0.00  0.00    -0.456 OA
BRANCH  19  20
ATOM     20  C   LIG    1        4.866  -1.002   0.714  0.00  0.00    +0.128 A 
ATOM     21  C   LIG    1        5.537  -1.594   1.785  0.00  0.00    +0.046 A 
ATOM     22  C   LIG    1        6.899  -1.353   1.970  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1        7.590  -0.535   1.075  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        6.923   0.037  -0.009  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1        5.561  -0.202  -0.196  0.00  0.00    +0.046 A 
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 6