REMARK  Name = BDB036961
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.407  -1.758   1.577  0.00  0.00    +0.086 C 
ATOM      2  C   LIG    1        0.356  -0.761   0.735  0.00  0.00    +0.111 A 
ATOM      3  N   LIG    1       -0.303   0.122  -0.100  0.00  0.00    -0.284 N 
ATOM      4  C   LIG    1        0.423   1.088  -0.807  0.00  0.00    +0.263 A 
ATOM      5  O   LIG    1       -0.088   1.941  -1.531  0.00  0.00    -0.267 OA
ATOM      6  C   LIG    1        1.888   1.056  -0.688  0.00  0.00    +0.067 A 
ATOM      7  C   LIG    1        2.443   0.081   0.129  0.00  0.00    +0.099 A 
ATOM      8  C   LIG    1        3.846   0.021   0.269  0.00  0.00    +0.051 A 
ATOM      9  C   LIG    1        4.654   0.894  -0.468  0.00  0.00    +0.025 A 
ATOM     10  C   LIG    1        4.081   1.873  -1.282  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1        2.695   1.959  -1.390  0.00  0.00    +0.015 A 
ATOM     12  N   LIG    1        1.645  -0.818   0.853  0.00  0.00    -0.232 NA
ENDROOT
BRANCH   3  13
ATOM     13  C   LIG    1       -1.766   0.174  -0.292  0.00  0.00    +0.178 C 
ATOM     14  C   LIG    1       -2.506   0.698   0.941  0.00  0.00    +0.242 C 
ATOM     15  O   LIG    1       -1.960   1.271   1.880  0.00  0.00    -0.273 OA
ATOM     16  N   LIG    1       -3.870   0.503   0.936  0.00  0.00    -0.255 N 
ATOM     17  H   LIG    1       -4.362   0.839   1.754  0.00  0.00    +0.158 HD
ATOM     18  C   LIG    1       -4.595  -0.314   0.104  0.00  0.00    +0.219 C 
ATOM     19  O   LIG    1       -5.776  -0.558   0.331  0.00  0.00    -0.275 OA
ATOM     20  C   LIG    1       -3.876  -0.857  -1.110  0.00  0.00    +0.099 C 
ATOM     21  C   LIG    1       -2.403  -1.115  -0.815  0.00  0.00    +0.044 C 
ENDBRANCH   3  13
BRANCH   8  22
ATOM     22  N   LIG    1        4.438  -1.035   0.993  0.00  0.00    -0.356 N 
ATOM     23  H   LIG    1        5.303  -0.780   1.455  0.00  0.00    +0.142 HD
ATOM     24  H   LIG    1        3.748  -1.443   1.627  0.00  0.00    +0.142 HD
ENDBRANCH   8  22
TORSDOF 2