REMARK  Name = BDB064065
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.222   0.747   0.151  0.00  0.00    -0.221 N 
ATOM      2  C   LIG    1        2.167   0.849  -0.722  0.00  0.00    +0.268 C 
ATOM      3  O   LIG    1        2.131   1.357  -1.827  0.00  0.00    -0.268 OA
ATOM      4  C   LIG    1        1.032   0.175  -0.019  0.00  0.00    +0.098 C 
ATOM      5  C   LIG    1       -0.208   0.071  -0.508  0.00  0.00    +0.038 C 
ATOM      6  N   LIG    1        1.518  -0.265   1.176  0.00  0.00    -0.265 N 
ATOM      7  H   LIG    1        0.992  -0.736   1.895  0.00  0.00    +0.157 HD
ATOM      8  C   LIG    1        2.857   0.066   1.295  0.00  0.00    +0.313 C 
ATOM      9  O   LIG    1        3.561  -0.212   2.252  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   5  10
ATOM     10  C   LIG    1       -1.333  -0.565   0.100  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1       -2.692  -0.131   0.023  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1       -3.459  -1.060   0.729  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1       -4.848  -0.948   0.867  0.00  0.00    +0.026 A 
ATOM     14  C   LIG    1       -5.473   0.148   0.267  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -4.737   1.093  -0.444  0.00  0.00    +0.001 A 
ATOM     16  N   LIG    1       -2.598  -2.023   1.202  0.00  0.00    -0.360 N 
ATOM     17  H   LIG    1       -2.884  -2.831   1.737  0.00  0.00    +0.165 HD
ATOM     18  C   LIG    1       -3.349   0.967  -0.573  0.00  0.00    +0.010 A 
ATOM     19  C   LIG    1       -1.311  -1.740   0.820  0.00  0.00    +0.091 A 
ENDBRANCH   5  10
BRANCH   1  21
ATOM     20  C   LIG    1        5.399   0.163  -0.816  0.00  0.00    +0.025 C 
ATOM     21  C   LIG    1        4.560   1.224  -0.122  0.00  0.00    +0.115 C 
ENDBRANCH   1  21
TORSDOF 2