REMARK  Name = BDB045293
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.194  -0.253  -0.663  0.00  0.00    +0.141 A 
ATOM      2  N   LIG    1       -0.462  -1.022  -1.771  0.00  0.00    -0.306 N 
ATOM      3  H   LIG    1        0.274  -1.358  -2.373  0.00  0.00    +0.170 HD
ATOM      4  C   LIG    1       -1.731  -1.302  -2.208  0.00  0.00    +0.259 A 
ATOM      5  O   LIG    1       -1.935  -1.958  -3.223  0.00  0.00    -0.267 OA
ATOM      6  C   LIG    1       -2.824  -0.757  -1.387  0.00  0.00    +0.065 A 
ATOM      7  C   LIG    1       -2.474   0.012  -0.272  0.00  0.00    +0.081 A 
ATOM      8  C   LIG    1       -3.502   0.547   0.526  0.00  0.00    -0.024 A 
ATOM      9  C   LIG    1       -4.844   0.300   0.189  0.00  0.00    +0.005 A 
ATOM     10  C   LIG    1       -5.170  -0.469  -0.929  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -3.173   1.378   1.735  0.00  0.00    +0.046 C 
ATOM     12  C   LIG    1       -4.159  -1.001  -1.723  0.00  0.00    +0.015 A 
ATOM     13  N   LIG    1       -1.131   0.262   0.068  0.00  0.00    -0.229 NA
ENDROOT
BRANCH   1  17
ATOM     14  C   LIG    1        3.925   0.497   0.309  0.00  0.00    +0.120 A 
ATOM     15  C   LIG    1        3.572  -0.691  -0.333  0.00  0.00    +0.046 A 
ATOM     16  C   LIG    1        2.233  -0.950  -0.653  0.00  0.00    +0.015 A 
ATOM     17  C   LIG    1        1.238  -0.016  -0.339  0.00  0.00    +0.018 A 
ATOM     18  C   LIG    1        1.591   1.166   0.319  0.00  0.00    +0.015 A 
ATOM     19  C   LIG    1        2.929   1.420   0.634  0.00  0.00    +0.046 A 
BRANCH  14  21
ATOM     20  C   LIG    1        6.242  -0.038   0.375  0.00  0.00    +0.277 C 
ATOM     21  O   LIG    1        5.189   0.870   0.674  0.00  0.00    -0.495 OA
ENDBRANCH  14  21
ENDBRANCH   1  17
TORSDOF 2