REMARK  Name = BDB045648
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.445  -0.121  -0.523  0.00  0.00    -0.016 A 
ATOM      2  C   LIG    1        0.541  -1.174  -0.323  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1       -0.834  -0.935  -0.212  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -1.353   0.363  -0.301  0.00  0.00    +0.017 A 
ATOM      5  C   LIG    1       -0.455   1.420  -0.496  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1        0.922   1.179  -0.606  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -2.802   0.565  -0.182  0.00  0.00    +0.139 A 
ATOM      8  N   LIG    1       -3.456   1.736  -0.493  0.00  0.00    -0.338 N 
ATOM      9  H   LIG    1       -3.022   2.576  -0.842  0.00  0.00    +0.167 HD
ATOM     10  C   LIG    1       -4.800   1.573  -0.274  0.00  0.00    +0.067 A 
ATOM     11  C   LIG    1       -4.922   0.262   0.173  0.00  0.00    +0.102 A 
ATOM     12  C   LIG    1       -6.202  -0.234   0.493  0.00  0.00    +0.064 A 
ATOM     13  C   LIG    1       -7.308   0.623   0.344  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -7.147   1.935  -0.110  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1       -5.883   2.440  -0.431  0.00  0.00    +0.028 A 
ATOM     16  N   LIG    1       -3.678  -0.342   0.217  0.00  0.00    -0.227 NA
BRANCH  12  17
ATOM     17  C   LIG    1       -6.415  -1.617   0.978  0.00  0.00    +0.244 C 
ATOM     18  O   LIG    1       -7.534  -2.038   1.247  0.00  0.00    -0.270 OA
ATOM     19  N   LIG    1       -5.314  -2.411   1.119  0.00  0.00    -0.325 N 
ATOM     20  H   LIG    1       -5.428  -3.354   1.459  0.00  0.00    +0.145 HD
ATOM     21  H   LIG    1       -4.382  -2.059   0.907  0.00  0.00    +0.145 HD
ENDBRANCH  12  17
ENDBRANCH   4   7
BRANCH   1  25
ATOM     22  C   LIG    1        5.638  -0.770  -0.803  0.00  0.00    +0.125 A 
ATOM     23  N   LIG    1        5.168   0.150   0.056  0.00  0.00    -0.240 NA
ATOM     24  C   LIG    1        3.825   0.326   0.121  0.00  0.00    +0.121 A 
ATOM     25  C   LIG    1        2.888  -0.370  -0.639  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        3.408  -1.320  -1.521  0.00  0.00    +0.013 A 
ATOM     27  C   LIG    1        4.788  -1.523  -1.606  0.00  0.00    +0.044 A 
BRANCH  22  30
ATOM     28  C   LIG    1        7.829   0.641   0.759  0.00  0.00    +0.109 C 
ATOM     29  C   LIG    1        8.053  -0.427  -0.275  0.00  0.00    +0.215 C 
ATOM     30  N   LIG    1        7.007  -1.007  -0.925  0.00  0.00    -0.271 N 
ATOM     31  H   LIG    1        7.307  -1.708  -1.587  0.00  0.00    +0.156 HD
ATOM     32  O   LIG    1        9.195  -0.803  -0.556  0.00  0.00    -0.276 OA
ENDBRANCH  22  30
ENDBRANCH   1  25
TORSDOF 4