REMARK  Name = BDB048663
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.584  -0.625   1.377  0.00  0.00    +0.143 C 
ENDROOT
BRANCH   1   3
ATOM      2  C   LIG    1        1.710  -1.409   0.606  0.00  0.00    +0.125 A 
ATOM      3  C   LIG    1        0.899  -0.419   1.193  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1        1.477   0.797   1.597  0.00  0.00    +0.012 A 
ATOM      5  C   LIG    1        2.848   1.033   1.439  0.00  0.00    -0.046 A 
ATOM      6  C   LIG    1        3.644   0.034   0.873  0.00  0.00    +0.007 A 
ATOM      7  C   LIG    1        3.080  -1.174   0.454  0.00  0.00    +0.046 A 
BRANCH   2   9
ATOM      8  C   LIG    1        1.870  -3.621  -0.272  0.00  0.00    +0.277 C 
ATOM      9  O   LIG    1        1.064  -2.549   0.202  0.00  0.00    -0.495 OA
ENDBRANCH   2   9
BRANCH   5  10
ATOM     10  C   LIG    1        3.458   2.332   1.903  0.00  0.00    +0.046 C 
BRANCH  10  11
ATOM     11  C   LIG    1        3.901   2.255   3.356  0.00  0.00    +0.125 C 
BRANCH  11  12
ATOM     12  C   LIG    1        4.512   3.559   3.768  0.00  0.00    +0.305 C 
ATOM     13  O   LIG    1        5.679   3.884   3.629  0.00  0.00    -0.251 OA
BRANCH  12  14
ATOM     14  O   LIG    1        3.618   4.409   4.304  0.00  0.00    -0.481 OA
ATOM     15  H   LIG    1        4.141   5.210   4.518  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   5  10
ENDBRANCH   1   3
BRANCH   1  16
ATOM     16  N   LIG    1       -1.286  -0.495   0.121  0.00  0.00    -0.307 N 
ATOM     17  H   LIG    1       -0.837  -0.932  -0.672  0.00  0.00    +0.149 HD
ATOM     18  C   LIG    1       -2.655  -0.353   0.101  0.00  0.00    +0.244 C 
ATOM     19  O   LIG    1       -3.337  -0.206   1.109  0.00  0.00    -0.270 OA
BRANCH  18  20
ATOM     20  C   LIG    1       -3.306  -0.421  -1.238  0.00  0.00    +0.037 A 
ATOM     21  C   LIG    1       -2.624  -0.085  -2.414  0.00  0.00    +0.013 A 
ATOM     22  C   LIG    1       -3.277  -0.159  -3.649  0.00  0.00    +0.013 A 
ATOM     23  C   LIG    1       -4.622  -0.555  -3.725  0.00  0.00    +0.055 A 
ATOM     24  C   LIG    1       -5.300  -0.884  -2.542  0.00  0.00    +0.013 A 
ATOM     25  C   LIG    1       -4.649  -0.810  -1.308  0.00  0.00    +0.013 A 
BRANCH  23  26
ATOM     26  C   LIG    1       -5.321  -0.651  -5.061  0.00  0.00    +0.417 C 
ATOM     27  F   LIG    1       -4.838   0.231  -5.981  0.00  0.00    -0.166 F 
ATOM     28  F   LIG    1       -5.191  -1.884  -5.624  0.00  0.00    -0.166 F 
ATOM     29  F   LIG    1       -6.659  -0.412  -4.985  0.00  0.00    -0.166 F 
ENDBRANCH  23  26
ENDBRANCH  18  20
ENDBRANCH   1  16
TORSDOF 9