REMARK  Name = BDB006969
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.192  -0.095  -1.196  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1        1.024   0.037  -0.543  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1        1.478  -0.383   0.721  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1        2.780   0.088   0.938  0.00  0.00    -0.013 A 
ATOM      5  C   LIG    1        3.467  -0.176   2.120  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1        2.843  -0.953   3.094  0.00  0.00    +0.019 A 
ATOM      7  C   LIG    1        1.552  -1.456   2.874  0.00  0.00    +0.054 A 
ATOM      8  C   LIG    1        3.284   0.908  -0.240  0.00  0.00    +0.053 C 
ATOM      9  C   LIG    1        3.296   2.393   0.176  0.00  0.00    +0.024 C 
ATOM     10  C   LIG    1        0.865  -1.175   1.680  0.00  0.00    +0.042 A 
ATOM     11  C   LIG    1        2.152   0.660  -1.266  0.00  0.00    +0.131 C 
ATOM     12  O   LIG    1       -0.267   0.147  -2.406  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   8  13
ATOM     13  C   LIG    1        4.629   0.441  -0.797  0.00  0.00    +0.053 A 
ATOM     14  N   LIG    1        5.557   1.391  -1.079  0.00  0.00    -0.259 NA
ATOM     15  C   LIG    1        6.744   0.992  -1.587  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1        7.069  -0.327  -1.841  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        6.118  -1.297  -1.559  0.00  0.00    +0.003 A 
ATOM     18  C   LIG    1        4.885  -0.913  -1.034  0.00  0.00    +0.024 A 
ENDBRANCH   8  13
BRANCH   7  19
ATOM     19  C   LIG    1        0.930  -2.275   3.875  0.00  0.00    +0.099 C 
ATOM     20  N   LIG    1        0.423  -2.941   4.678  0.00  0.00    -0.191 NA
ENDBRANCH   7  19
BRANCH   1  21
ATOM     21  C   LIG    1       -1.426  -0.513  -0.378  0.00  0.00    +0.181 C 
BRANCH  21  23
ATOM     22  C   LIG    1       -3.909  -0.698  -0.342  0.00  0.00    +0.097 C 
ATOM     23  N   LIG    1       -2.708  -0.135  -1.026  0.00  0.00    -0.286 NA
ATOM     24  C   LIG    1       -2.867   1.339  -1.111  0.00  0.00    +0.103 C 
ATOM     25  C   LIG    1       -3.180   2.036   0.243  0.00  0.00    +0.065 C 
ATOM     26  C   LIG    1       -3.426   3.529   0.025  0.00  0.00    +0.025 C 
ATOM     27  N   LIG    1       -4.354   1.455   0.921  0.00  0.00    -0.311 NA
ATOM     28  H   LIG    1       -5.182   1.656   0.358  0.00  0.00    +0.122 HD
ATOM     29  C   LIG    1       -4.222  -0.011   1.020  0.00  0.00    +0.102 C 
BRANCH  22  30
ATOM     30  C   LIG    1       -3.879  -2.238  -0.179  0.00  0.00    +0.179 C 
BRANCH  30  32
ATOM     31  C   LIG    1       -6.041  -2.999  -0.818  0.00  0.00    +0.194 C 
ATOM     32  O   LIG    1       -5.138  -2.763   0.255  0.00  0.00    -0.381 OA
ENDBRANCH  30  32
ENDBRANCH  22  30
ENDBRANCH  21  23
ENDBRANCH   1  21
TORSDOF 6