REMARK  Name = BDB027952
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.636   1.632   0.775  0.00  0.00    -0.331 N 
ATOM      2  H   LIG    1       -0.368   1.477   1.754  0.00  0.00    +0.147 HD
ENDROOT
BRANCH   1   7
ATOM      3  C   LIG    1        4.491  -1.554   0.546  0.00  0.00    +0.150 C 
ATOM      4  N   LIG    1        3.270  -0.839   0.814  0.00  0.00    -0.333 N 
ATOM      5  C   LIG    1        2.483  -0.205  -0.116  0.00  0.00    +0.070 A 
ATOM      6  C   LIG    1        1.447   0.339   0.637  0.00  0.00    +0.110 A 
ATOM      7  C   LIG    1        0.413   1.080   0.013  0.00  0.00    +0.055 A 
ATOM      8  C   LIG    1        0.508   1.247  -1.378  0.00  0.00    +0.025 A 
ATOM      9  C   LIG    1        1.560   0.691  -2.116  0.00  0.00    +0.004 A 
ATOM     10  N   LIG    1        1.588   0.025   1.975  0.00  0.00    -0.234 NA
ATOM     11  C   LIG    1        2.571  -0.054  -1.502  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1        2.697  -0.676   2.044  0.00  0.00    +0.200 A 
ENDBRANCH   1   7
BRANCH   1  13
ATOM     13  C   LIG    1       -1.995   1.082   0.567  0.00  0.00    +0.158 C 
ATOM     14  C   LIG    1       -2.657   1.506  -0.756  0.00  0.00    +0.239 C 
ATOM     15  O   LIG    1       -2.556   2.624  -1.260  0.00  0.00    -0.273 OA
ATOM     16  N   LIG    1       -3.482   0.575  -1.347  0.00  0.00    -0.255 N 
ATOM     17  H   LIG    1       -3.934   0.879  -2.199  0.00  0.00    +0.158 HD
ATOM     18  C   LIG    1       -4.007  -0.553  -0.772  0.00  0.00    +0.219 C 
ATOM     19  O   LIG    1       -4.937  -1.159  -1.298  0.00  0.00    -0.275 OA
ATOM     20  C   LIG    1       -3.451  -0.945   0.575  0.00  0.00    +0.098 C 
ATOM     21  C   LIG    1       -2.029  -0.440   0.744  0.00  0.00    +0.041 C 
ENDBRANCH   1  13
TORSDOF 2