REMARK  Name = BDB018314
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.460  -0.642  -0.251  0.00  0.00    +0.014 A 
ATOM      2  C   LIG    1       -1.322  -1.517   0.118  0.00  0.00    +0.011 A 
ATOM      3  C   LIG    1       -1.376  -2.817  -0.237  0.00  0.00    +0.098 A 
ATOM      4  N   LIG    1       -2.432  -3.361  -0.944  0.00  0.00    -0.318 N 
ATOM      5  C   LIG    1       -2.378  -4.769  -1.304  0.00  0.00    +0.152 C 
ATOM      6  C   LIG    1       -3.507  -2.593  -1.366  0.00  0.00    +0.252 A 
ATOM      7  O   LIG    1       -4.455  -3.007  -2.026  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1       -3.476  -1.167  -0.963  0.00  0.00    +0.081 A 
ENDROOT
BRANCH   1  14
ATOM      9  C   LIG    1       -3.274   4.355   0.143  0.00  0.00    +0.067 C 
ATOM     10  C   LIG    1       -2.942   2.925   0.345  0.00  0.00    +0.060 A 
ATOM     11  N   LIG    1       -2.488   2.498   1.529  0.00  0.00    -0.179 NA
ATOM     12  N   LIG    1       -2.311   1.177   1.353  0.00  0.00    -0.277 N 
ATOM     13  H   LIG    1       -1.969   0.633   2.138  0.00  0.00    +0.189 HD
ATOM     14  C   LIG    1       -2.607   0.741   0.087  0.00  0.00    +0.067 A 
ATOM     15  C   LIG    1       -3.037   1.867  -0.587  0.00  0.00    +0.052 A 
ENDBRANCH   1  14
BRANCH   2  16
ATOM     16  C   LIG    1       -0.173  -1.022   0.818  0.00  0.00    +0.022 A 
ATOM     17  C   LIG    1        0.589   0.073   0.480  0.00  0.00    +0.117 A 
ATOM     18  N   LIG    1        1.566   0.168   1.433  0.00  0.00    -0.267 N 
ATOM     19  N   LIG    1        1.482  -0.799   2.374  0.00  0.00    -0.179 NA
ATOM     20  C   LIG    1        0.438  -1.533   1.983  0.00  0.00    +0.143 A 
BRANCH  18  21
ATOM     21  C   LIG    1        2.582   1.208   1.536  0.00  0.00    +0.178 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.664   1.034   0.499  0.00  0.00    -0.026 A 
ATOM     23  C   LIG    1        3.780   1.932  -0.572  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1        4.782   1.765  -1.529  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        5.677   0.702  -1.427  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        5.571  -0.197  -0.367  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        4.571  -0.033   0.591  0.00  0.00    +0.005 A 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH   2  16
TORSDOF 4