REMARK  Name = BDB045899
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.559   0.099   0.479  0.00  0.00    -0.045 A 
ATOM      2  C   LIG    1       -3.013   0.454  -0.759  0.00  0.00    +0.007 A 
ATOM      3  C   LIG    1       -1.750  -0.009  -1.147  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1       -1.015  -0.836  -0.301  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1       -1.558  -1.196   0.934  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -2.819  -0.737   1.323  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -4.929   0.586   0.898  0.00  0.00    +0.065 C 
BRANCH   7   8
ATOM      8  CA  LIG    1       -6.084  -0.234   0.281  0.00  0.00    +0.167 C 
BRANCH   8  10
ATOM      9  C   LIG    1       -6.697   1.440  -1.448  0.00  0.00    +0.101 C 
ATOM     10  N   LIG    1       -6.369   0.048  -1.158  0.00  0.00    -0.307 NA
ATOM     11  H   LIG    1       -7.176  -0.524  -1.421  0.00  0.00    +0.122 HD
ENDBRANCH   8  10
BRANCH   8  12
ATOM     12  C   LIG    1       -7.374  -0.142   1.116  0.00  0.00    +0.322 C 
ATOM     13  O   LIG    1       -8.514  -0.026   0.688  0.00  0.00    -0.249 OA
BRANCH  12  14
ATOM     14  OXT LIG    1       -7.181  -0.295   2.442  0.00  0.00    -0.480 OA
ATOM     15  HXT LIG    1       -8.087  -0.269   2.816  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH   8  12
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  16
ATOM     16  O   LIG    1        0.227  -1.350  -0.542  0.00  0.00    -0.492 OA
BRANCH  16  17
ATOM     17  C   LIG    1        0.862  -1.082  -1.796  0.00  0.00    +0.235 C 
BRANCH  17  18
ATOM     18  C   LIG    1        1.594   0.261  -1.789  0.00  0.00    +0.100 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.822   0.236  -0.950  0.00  0.00    +0.086 A 
ATOM     20  C   LIG    1        2.963   0.412   0.410  0.00  0.00    +0.126 A 
ATOM     21  C   LIG    1        2.039   0.669   1.528  0.00  0.00    +0.088 C 
ATOM     22  O   LIG    1        4.290   0.296   0.713  0.00  0.00    -0.440 OA
ATOM     23  C   LIG    1        4.896   0.055  -0.494  0.00  0.00    +0.228 A 
ATOM     24  N   LIG    1        4.059   0.012  -1.514  0.00  0.00    -0.214 NA
BRANCH  23  25
ATOM     25  C   LIG    1        6.346  -0.116  -0.482  0.00  0.00    +0.037 A 
ATOM     26  C   LIG    1        7.095  -0.045   0.703  0.00  0.00    +0.013 A 
ATOM     27  C   LIG    1        8.482  -0.212   0.683  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        9.140  -0.454  -0.521  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        8.412  -0.529  -1.707  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        7.025  -0.361  -1.687  0.00  0.00    +0.013 A 
ENDBRANCH  23  25
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 10