REMARK  Name = BDB037045
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.816  -0.797  -0.158  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1        1.696  -2.168  -0.299  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        2.584  -2.992  -0.407  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        0.262  -2.471  -0.263  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -0.323  -3.723  -0.237  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1       -1.703  -3.770  -0.103  0.00  0.00    +0.003 A 
ATOM      7  C   LIG    1       -2.444  -2.579   0.023  0.00  0.00    +0.024 A 
ATOM      8  C   LIG    1       -1.841  -1.300  -0.007  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1       -0.458  -1.270  -0.181  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1        0.518  -0.136  -0.239  0.00  0.00    +0.146 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1        5.497   3.002  -1.654  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1        4.812   2.057  -1.271  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1        4.215   1.206  -2.165  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1        4.315   1.456  -3.139  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1        3.240   0.270  -1.899  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1        2.588  -0.217  -2.820  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1        3.076  -0.111  -0.416  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1        3.244   1.137   0.447  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1        4.614   1.747   0.194  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   8  20
ATOM     20  N   LIG    1       -2.640  -0.132   0.208  0.00  0.00    -0.269 N 
ATOM     21  C   LIG    1       -2.446   1.071  -0.490  0.00  0.00    +0.234 C 
ATOM     22  O   LIG    1       -1.626   1.249  -1.389  0.00  0.00    -0.274 OA
ATOM     23  C   LIG    1       -3.437   2.189  -0.125  0.00  0.00    +0.178 C 
ATOM     24  N   LIG    1       -3.637   2.271   1.327  0.00  0.00    -0.307 NA
ATOM     25  H   LIG    1       -4.282   3.026   1.554  0.00  0.00    +0.122 HD
ATOM     26  C   LIG    1       -4.109   1.003   1.885  0.00  0.00    +0.100 C 
ATOM     27  C   LIG    1       -3.869  -0.235   0.998  0.00  0.00    +0.129 C 
ENDBRANCH   8  20
TORSDOF 2