REMARK  Name = BDB045117
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.546   0.481   0.118  0.00  0.00    +0.162 A 
ATOM      2  C   LIG    1        1.918  -0.657   0.654  0.00  0.00    +0.165 A 
ATOM      3  C   LIG    1        0.543  -0.643   0.935  0.00  0.00    +0.004 A 
ATOM      4  C   LIG    1       -0.177  -1.826   1.547  0.00  0.00    +0.058 C 
ATOM      5  C   LIG    1       -1.515  -2.050   0.832  0.00  0.00    +0.113 C 
ATOM      6  N   LIG    1       -2.273  -0.823   0.554  0.00  0.00    -0.294 N 
ATOM      7  C   LIG    1       -1.706   0.439   1.058  0.00  0.00    +0.107 C 
ATOM      8  C   LIG    1       -2.582   1.660   0.757  0.00  0.00    +0.028 C 
ATOM      9  C   LIG    1       -3.111   1.605  -0.663  0.00  0.00    +0.011 C 
ATOM     10  C   LIG    1       -3.977   0.368  -0.805  0.00  0.00    +0.096 C 
ATOM     11  C   LIG    1       -3.270  -0.908  -0.404  0.00  0.00    +0.216 C 
ATOM     12  O   LIG    1       -3.637  -1.983  -0.882  0.00  0.00    -0.276 OA
ATOM     13  C   LIG    1       -0.233   0.509   0.663  0.00  0.00    -0.020 A 
ATOM     14  C   LIG    1        0.392   1.621   0.096  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1        1.767   1.606  -0.173  0.00  0.00    +0.050 A 
ENDROOT
BRANCH   1  17
ATOM     16  C   LIG    1        4.572   1.596  -0.478  0.00  0.00    +0.277 C 
ATOM     17  O   LIG    1        3.901   0.411  -0.075  0.00  0.00    -0.491 OA
ENDBRANCH   1  17
BRANCH   2  18
ATOM     18  O   LIG    1        2.607  -1.796   0.993  0.00  0.00    -0.491 OA
ATOM     19  C   LIG    1        3.276  -2.386  -0.121  0.00  0.00    +0.277 C 
ENDBRANCH   2  18
TORSDOF 2