REMARK  Name = BDB029420
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.193   0.572  -0.986  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        1.868   0.382   0.229  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1        3.076  -0.289   0.192  0.00  0.00    -0.017 A 
ATOM      4  C   LIG    1        4.015  -0.642   1.307  0.00  0.00    +0.133 C 
ATOM      5  C   LIG    1        5.144  -1.364   0.561  0.00  0.00    +0.222 C 
ATOM      6  N   LIG    1        4.816  -1.372  -0.789  0.00  0.00    -0.285 N 
ATOM      7  H   LIG    1        5.410  -1.786  -1.492  0.00  0.00    +0.155 HD
ATOM      8  O   LIG    1        6.149  -1.848   1.054  0.00  0.00    -0.275 OA
ATOM      9  C   LIG    1        3.605  -0.741  -1.018  0.00  0.00    +0.037 A 
ATOM     10  C   LIG    1        2.972  -0.547  -2.227  0.00  0.00    +0.024 A 
ATOM     11  C   LIG    1        1.749   0.129  -2.206  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  17
ATOM     12  C   LIG    1       -4.930  -0.292   1.091  0.00  0.00    +0.105 C 
ATOM     13  N   LIG    1       -3.523   0.004   1.346  0.00  0.00    -0.302 NA
ATOM     14  C   LIG    1       -3.203   1.423   1.082  0.00  0.00    +0.103 C 
ATOM     15  C   LIG    1       -2.360   1.684  -0.179  0.00  0.00    +0.123 C 
ATOM     16  N   LIG    1       -1.131   0.890  -0.198  0.00  0.00    -0.295 N 
ATOM     17  C   LIG    1       -0.095   1.304  -1.026  0.00  0.00    +0.247 C 
ATOM     18  O   LIG    1       -0.188   2.254  -1.800  0.00  0.00    -0.270 OA
ATOM     19  C   LIG    1       -1.200  -0.415   0.473  0.00  0.00    +0.123 C 
ATOM     20  C   LIG    1       -2.650  -0.920   0.597  0.00  0.00    +0.103 C 
ENDBRANCH   1  17
TORSDOF 1