REMARK  Name = BDB059673
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.244  -0.694   0.038  0.00  0.00    +0.048 A 
ATOM      2  C   LIG    1        0.851  -1.704  -0.230  0.00  0.00    +0.279 A 
ATOM      3  O   LIG    1        0.665  -2.901  -0.408  0.00  0.00    -0.265 OA
ATOM      4  N   LIG    1        2.152  -1.175  -0.272  0.00  0.00    -0.179 N 
ATOM      5  C   LIG    1        2.463   0.157  -0.097  0.00  0.00    +0.156 A 
ATOM      6  C   LIG    1        3.826   0.264  -0.223  0.00  0.00    +0.114 A 
ATOM      7  C   LIG    1        4.266  -1.048  -0.468  0.00  0.00    +0.156 A 
ATOM      8  N   LIG    1        1.452   1.018   0.137  0.00  0.00    -0.336 N 
ATOM      9  H   LIG    1        1.595   2.028   0.197  0.00  0.00    +0.167 HD
ATOM     10  N   LIG    1        3.263  -1.931  -0.499  0.00  0.00    -0.169 NA
ATOM     11  C   LIG    1        0.122   0.609   0.187  0.00  0.00    +0.092 A 
ENDROOT
BRANCH  11  12
ATOM     12  C   LIG    1       -0.888   1.608   0.394  0.00  0.00    +0.151 A 
ATOM     13  O   LIG    1       -1.957   1.803  -0.455  0.00  0.00    -0.461 OA
ATOM     14  C   LIG    1       -2.693   2.840   0.013  0.00  0.00    +0.196 A 
ATOM     15  C   LIG    1       -2.129   3.350   1.154  0.00  0.00    +0.042 A 
ATOM     16  C   LIG    1       -0.972   2.572   1.394  0.00  0.00    +0.051 A 
ENDBRANCH  11  12
BRANCH   1  18
ATOM     17  C   LIG    1       -2.166  -1.774  -1.216  0.00  0.00    +0.012 C 
ATOM     18  C   LIG    1       -1.663  -1.250   0.131  0.00  0.00    +0.020 C 
ATOM     19  C   LIG    1       -1.823  -2.302   1.235  0.00  0.00    +0.012 C 
ENDBRANCH   1  18
BRANCH   6  20
ATOM     20  C   LIG    1        4.611   1.444  -0.123  0.00  0.00    +0.104 C 
ATOM     21  N   LIG    1        5.239   2.416  -0.036  0.00  0.00    -0.191 NA
ENDBRANCH   6  20
TORSDOF 3