REMARK  Name = BDB045829
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.011  -0.180   0.514  0.00  0.00    +0.199 A 
ATOM      2  N   LIG    1       -0.469  -0.703   1.692  0.00  0.00    -0.295 N 
ATOM      3  H   LIG    1        0.185  -1.000   2.393  0.00  0.00    +0.172 HD
ATOM      4  C   LIG    1       -1.774  -1.013   1.923  0.00  0.00    +0.256 A 
ATOM      5  O   LIG    1       -2.143  -1.557   2.959  0.00  0.00    -0.267 OA
ATOM      6  C   LIG    1       -2.708  -0.657   0.840  0.00  0.00    +0.038 A 
ATOM      7  C   LIG    1       -4.171  -0.893   1.056  0.00  0.00    +0.042 C 
ATOM      8  C   LIG    1       -5.045  -0.201   0.009  0.00  0.00    +0.005 C 
ATOM      9  C   LIG    1       -4.454  -0.359  -1.388  0.00  0.00    +0.006 C 
ATOM     10  C   LIG    1       -3.042   0.228  -1.458  0.00  0.00    +0.056 C 
ATOM     11  C   LIG    1       -2.172  -0.140  -0.278  0.00  0.00    +0.053 A 
ATOM     12  N   LIG    1       -0.829   0.084  -0.459  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   1  17
ATOM     13  C   LIG    1        5.569   0.649  -0.026  0.00  0.00    +0.105 C 
ATOM     14  N   LIG    1        4.134   0.912   0.053  0.00  0.00    -0.302 NA
ATOM     15  C   LIG    1        3.600   0.518   1.371  0.00  0.00    +0.103 C 
ATOM     16  C   LIG    1        2.076   0.737   1.481  0.00  0.00    +0.123 C 
ATOM     17  N   LIG    1        1.354   0.021   0.407  0.00  0.00    -0.299 N 
ATOM     18  C   LIG    1        1.882   0.382  -0.931  0.00  0.00    +0.123 C 
ATOM     19  C   LIG    1        3.409   0.173  -1.002  0.00  0.00    +0.103 C 
ENDBRANCH   1  17
TORSDOF 1