REMARK  Name = BDB017289
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.696   1.132   0.345  0.00  0.00    +0.018 A 
ATOM      2  C   LIG    1       -1.246   0.189  -0.527  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1       -2.615  -0.142  -0.478  0.00  0.00    -0.017 A 
ATOM      4  C   LIG    1       -3.477   0.482   0.458  0.00  0.00    -0.010 A 
ATOM      5  C   LIG    1       -4.862   0.126   0.464  0.00  0.00    +0.016 A 
ATOM      6  C   LIG    1       -5.342  -0.867  -0.421  0.00  0.00    +0.125 A 
ATOM      7  C   LIG    1       -4.473  -1.464  -1.331  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1       -2.894   1.423   1.336  0.00  0.00    +0.009 A 
ATOM      9  C   LIG    1       -3.127  -1.101  -1.360  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -1.533   1.742   1.280  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1  11
ATOM     11  C   LIG    1        0.753   1.522   0.333  0.00  0.00    +0.168 C 
ATOM     12  O   LIG    1        1.138   2.351   1.158  0.00  0.00    -0.292 OA
BRANCH  11  15
ATOM     13  N   LIG    1        3.427  -0.712   0.371  0.00  0.00    -0.302 NA
ATOM     14  C   LIG    1        2.098  -0.540  -0.244  0.00  0.00    +0.096 C 
ATOM     15  C   LIG    1        1.707   0.891  -0.691  0.00  0.00    +0.077 C 
ATOM     16  C   LIG    1        2.957   1.743  -0.995  0.00  0.00    -0.001 C 
ATOM     17  C   LIG    1        2.639   3.166  -1.460  0.00  0.00    +0.008 C 
ATOM     18  C   LIG    1        3.974   1.733   0.158  0.00  0.00    +0.019 C 
ATOM     19  C   LIG    1        3.843   0.508   1.068  0.00  0.00    +0.084 C 
BRANCH  13  20
ATOM     20  C   LIG    1        4.421  -1.257  -0.562  0.00  0.00    +0.084 C 
BRANCH  20  22
ATOM     21  C   LIG    1        5.574  -2.723   1.183  0.00  0.00    +0.005 C 
ATOM     22  C   LIG    1        5.748  -1.684   0.084  0.00  0.00    +0.012 C 
ENDBRANCH  20  22
ENDBRANCH  13  20
ENDBRANCH  11  15
ENDBRANCH   1  11
BRANCH   6  23
ATOM     23  O   LIG    1       -6.675  -1.169  -0.319  0.00  0.00    -0.495 OA
ATOM     24  C   LIG    1       -7.154  -2.294  -1.047  0.00  0.00    +0.277 C 
ENDBRANCH   6  23
BRANCH   5  25
ATOM     25  C   LIG    1       -5.839   0.763   1.439  0.00  0.00    +0.157 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -5.877   0.067   2.733  0.00  0.00    +0.067 C 
ATOM     27  N   LIG    1       -5.912  -0.459   3.768  0.00  0.00    -0.196 NA
ENDBRANCH  25  26
ENDBRANCH   5  25
TORSDOF 7