REMARK  Name = BDB027917
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.320   0.428   1.125  0.00  0.00    -0.333 N 
ATOM      2  H   LIG    1       -0.276   0.315   2.143  0.00  0.00    +0.147 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -1.512  -0.236   0.579  0.00  0.00    +0.158 C 
ATOM      4  C   LIG    1       -2.466  -0.593   1.735  0.00  0.00    +0.239 C 
ATOM      5  O   LIG    1       -2.081  -0.752   2.894  0.00  0.00    -0.273 OA
ATOM      6  N   LIG    1       -3.791  -0.752   1.409  0.00  0.00    -0.255 N 
ATOM      7  H   LIG    1       -4.409  -0.983   2.175  0.00  0.00    +0.158 HD
ATOM      8  C   LIG    1       -4.407  -0.374   0.243  0.00  0.00    +0.219 C 
ATOM      9  O   LIG    1       -5.628  -0.419   0.129  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -3.503   0.043  -0.892  0.00  0.00    +0.098 C 
ATOM     11  C   LIG    1       -2.241   0.711  -0.373  0.00  0.00    +0.041 C 
ENDBRANCH   1   3
BRANCH   1  16
ATOM     12  C   LIG    1        4.931  -0.061  -1.123  0.00  0.00    +0.044 C 
ATOM     13  C   LIG    1        3.554   0.023  -0.539  0.00  0.00    -0.050 A 
ATOM     14  C   LIG    1        3.363   0.460   0.773  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1        2.072   0.568   1.301  0.00  0.00    +0.023 A 
ATOM     16  C   LIG    1        0.938   0.230   0.549  0.00  0.00    +0.028 A 
ATOM     17  C   LIG    1        1.141  -0.152  -0.781  0.00  0.00    +0.023 A 
ATOM     18  C   LIG    1        2.430  -0.264  -1.318  0.00  0.00    +0.005 A 
ENDBRANCH   1  16
TORSDOF 2