REMARK  Name = BDB046579
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.651  -0.193   0.852  0.00  0.00    -0.047 A 
ATOM      2  C   LIG    1       -1.700  -1.026   0.247  0.00  0.00    +0.004 A 
ATOM      3  C   LIG    1       -0.369  -1.013   0.676  0.00  0.00    +0.013 A 
ATOM      4  C   LIG    1        0.026  -0.158   1.711  0.00  0.00    +0.037 A 
ATOM      5  C   LIG    1       -0.923   0.663   2.329  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1       -2.251   0.652   1.897  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        1.433  -0.105   2.197  0.00  0.00    +0.244 C 
ATOM      8  N   LIG    1        2.407  -0.424   1.278  0.00  0.00    -0.307 N 
ATOM      9  H   LIG    1        2.168  -0.448   0.296  0.00  0.00    +0.149 HD
ATOM     10  O   LIG    1        1.678   0.240   3.348  0.00  0.00    -0.270 OA
BRANCH   8  11
ATOM     11  C   LIG    1        3.803  -0.273   1.613  0.00  0.00    +0.140 C 
BRANCH  11  12
ATOM     12  C   LIG    1        4.677  -0.798   0.501  0.00  0.00    -0.027 A 
ATOM     13  C   LIG    1        5.074   0.004  -0.590  0.00  0.00    -0.046 A 
ATOM     14  C   LIG    1        4.686   1.454  -0.691  0.00  0.00    +0.044 C 
ATOM     15  C   LIG    1        5.870  -0.559  -1.601  0.00  0.00    +0.003 A 
ATOM     16  C   LIG    1        6.255  -1.899  -1.547  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        5.848  -2.695  -0.482  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        5.063  -2.150   0.532  0.00  0.00    +0.005 A 
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   4   7
BRANCH   1  19
ATOM     19  C   LIG    1       -4.084  -0.183   0.373  0.00  0.00    +0.049 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -4.346   0.883  -0.704  0.00  0.00    +0.102 C 
BRANCH  20  22
ATOM     21  C   LIG    1       -6.495   1.953   0.159  0.00  0.00    +0.004 C 
ATOM     22  C   LIG    1       -5.845   1.133  -0.946  0.00  0.00    +0.011 C 
ENDBRANCH  20  22
BRANCH  20  23
ATOM     23  C   LIG    1       -3.666   0.512  -2.012  0.00  0.00    +0.308 C 
ATOM     24  O   LIG    1       -2.748   1.153  -2.503  0.00  0.00    -0.251 OA
BRANCH  23  25
ATOM     25  O   LIG    1       -4.154  -0.598  -2.611  0.00  0.00    -0.480 OA
ATOM     26  H   LIG    1       -4.903  -1.020  -2.153  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 8