REMARK  Name = BDB016359
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.906   2.322  -0.373  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -2.947   1.217  -1.426  0.00  0.00    +0.076 C 
ATOM      3  N   LIG    1       -1.977   0.169  -1.164  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -1.025   0.476  -1.357  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -2.032  -0.705  -0.070  0.00  0.00    +0.057 A 
ATOM      6  C   LIG    1       -3.195  -1.008   0.678  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -3.110  -1.900   1.769  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -1.923  -2.539   2.105  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -0.790  -2.303   1.347  0.00  0.00    +0.010 A 
ATOM     10  N   LIG    1       -4.494  -0.499   0.485  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -5.185  -0.740   1.185  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1       -5.060   0.249  -0.491  0.00  0.00    +0.219 C 
ATOM     13  O   LIG    1       -6.249   0.561  -0.369  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -0.824  -1.409   0.260  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1       -4.304   0.630  -1.719  0.00  0.00    +0.118 C 
ENDROOT
BRANCH  14  16
ATOM     16  C   LIG    1        0.430  -1.226  -0.500  0.00  0.00    -0.015 A 
ATOM     17  C   LIG    1        1.502  -0.500   0.050  0.00  0.00    +0.017 A 
ATOM     18  C   LIG    1        2.705  -0.310  -0.653  0.00  0.00    -0.017 A 
ATOM     19  C   LIG    1        2.815  -0.871  -1.935  0.00  0.00    +0.008 A 
ATOM     20  C   LIG    1        1.762  -1.595  -2.496  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        0.579  -1.772  -1.782  0.00  0.00    +0.008 A 
BRANCH  18  22
ATOM     22  C   LIG    1        3.816   0.456  -0.061  0.00  0.00    -0.018 A 
ATOM     23  C   LIG    1        5.110  -0.086   0.014  0.00  0.00    +0.008 A 
ATOM     24  C   LIG    1        6.164   0.639   0.576  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        5.942   1.921   1.072  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        4.667   2.478   1.007  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        3.614   1.750   0.446  0.00  0.00    +0.008 A 
ENDBRANCH  18  22
ENDBRANCH  14  16
TORSDOF 2