REMARK  Name = BDB018295
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.128   0.200  -0.383  0.00  0.00    +0.135 A 
ATOM      2  C   LIG    1       -1.205  -0.922  -0.623  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1       -1.651  -1.949  -1.375  0.00  0.00    +0.101 A 
ATOM      4  N   LIG    1       -2.917  -1.979  -1.931  0.00  0.00    -0.317 N 
ATOM      5  C   LIG    1       -3.294  -3.127  -2.741  0.00  0.00    +0.152 C 
ATOM      6  C   LIG    1       -3.822  -0.941  -1.761  0.00  0.00    +0.255 A 
ATOM      7  O   LIG    1       -4.951  -0.900  -2.242  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1       -3.359   0.191  -0.923  0.00  0.00    +0.116 A 
ENDROOT
BRANCH   2   9
ATOM      9  C   LIG    1        0.125  -0.950  -0.086  0.00  0.00    +0.025 A 
ATOM     10  C   LIG    1        1.070   0.048  -0.164  0.00  0.00    +0.123 A 
ATOM     11  N   LIG    1        2.202  -0.409   0.479  0.00  0.00    -0.239 N 
ATOM     12  N   LIG    1        2.026  -1.678   0.940  0.00  0.00    -0.174 NA
ATOM     13  C   LIG    1        0.773  -1.988   0.606  0.00  0.00    +0.143 A 
BRANCH  11  14
ATOM     14  C   LIG    1        3.437   0.275   0.672  0.00  0.00    +0.065 A 
ATOM     15  C   LIG    1        3.627   1.582   0.202  0.00  0.00    +0.028 A 
ATOM     16  C   LIG    1        4.850   2.228   0.407  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1        5.885   1.579   1.078  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        5.702   0.281   1.549  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1        4.484  -0.371   1.349  0.00  0.00    +0.028 A 
ENDBRANCH  11  14
ENDBRANCH   2   9
BRANCH   1  20
ATOM     20  O   LIG    1       -1.615   1.189   0.430  0.00  0.00    -0.491 OA
BRANCH  20  22
ATOM     21  C   LIG    1       -3.292   1.994   1.990  0.00  0.00    +0.048 C 
ATOM     22  C   LIG    1       -2.411   2.314   0.795  0.00  0.00    +0.226 C 
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 4