REMARK  Name = BDB016239
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.649   0.673   1.754  0.00  0.00    +0.052 C 
ATOM      2  C   LIG    1       -4.165   1.689   0.722  0.00  0.00    +0.179 C 
ATOM      3  O   LIG    1       -2.751   1.710   0.581  0.00  0.00    -0.487 OA
ATOM      4  C   LIG    1       -2.095   0.653   0.027  0.00  0.00    +0.145 A 
ATOM      5  C   LIG    1       -2.594  -0.375  -0.776  0.00  0.00    +0.076 A 
ATOM      6  C   LIG    1       -1.713  -1.396  -1.176  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1       -0.358  -1.384  -0.826  0.00  0.00    +0.048 A 
ATOM      8  C   LIG    1        0.147  -0.342  -0.064  0.00  0.00    +0.125 A 
ATOM      9  N   LIG    1       -3.908  -0.521  -1.250  0.00  0.00    -0.282 N 
ATOM     10  H   LIG    1       -4.128  -1.374  -1.751  0.00  0.00    +0.155 HD
ATOM     11  C   LIG    1       -4.981   0.306  -1.202  0.00  0.00    +0.221 C 
ATOM     12  O   LIG    1       -6.042  -0.076  -1.702  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -0.728   0.662   0.356  0.00  0.00    +0.093 A 
ATOM     14  C   LIG    1       -4.859   1.676  -0.620  0.00  0.00    +0.140 C 
ENDROOT
BRANCH   8  15
ATOM     15  O   LIG    1        1.435  -0.186   0.358  0.00  0.00    -0.484 OA
BRANCH  15  16
ATOM     16  C   LIG    1        2.456  -1.054  -0.150  0.00  0.00    +0.200 C 
ATOM     17  C   LIG    1        2.577  -2.292   0.739  0.00  0.00    +0.057 C 
BRANCH  16  18
ATOM     18  C   LIG    1        3.775  -0.293  -0.152  0.00  0.00    -0.008 A 
ATOM     19  C   LIG    1        4.138   0.544   0.915  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1        5.360   1.218   0.909  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        6.238   1.061  -0.162  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        5.895   0.230  -1.226  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        4.673  -0.445  -1.221  0.00  0.00    +0.007 A 
ENDBRANCH  16  18
ENDBRANCH  15  16
ENDBRANCH   8  15
TORSDOF 3