REMARK  Name = BDB046382
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.635  -0.199   0.065  0.00  0.00    -0.046 A 
ATOM      2  C   LIG    1       -1.466   0.570   0.085  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1       -0.598   0.604  -1.021  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -0.896  -0.167  -2.158  0.00  0.00    +0.125 A 
ATOM      5  C   LIG    1       -2.060  -0.940  -2.177  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -2.923  -0.953  -1.077  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   4   7
ATOM      7  O   LIG    1        0.020  -0.114  -3.176  0.00  0.00    -0.495 OA
ATOM      8  C   LIG    1       -0.336  -0.735  -4.406  0.00  0.00    +0.277 C 
ENDBRANCH   4   7
BRANCH   1   9
ATOM      9  C   LIG    1       -3.570  -0.213   1.252  0.00  0.00    +0.049 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -4.882   0.555   1.011  0.00  0.00    +0.102 C 
BRANCH  10  12
ATOM     11  C   LIG    1       -4.074   2.812   1.977  0.00  0.00    +0.004 C 
ATOM     12  C   LIG    1       -4.723   2.073   0.815  0.00  0.00    +0.011 C 
ENDBRANCH  10  12
BRANCH  10  13
ATOM     13  C   LIG    1       -5.902   0.282   2.096  0.00  0.00    +0.308 C 
ATOM     14  O   LIG    1       -7.113   0.350   1.960  0.00  0.00    -0.251 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -5.376  -0.000   3.301  0.00  0.00    -0.480 OA
ATOM     16  H   LIG    1       -6.159  -0.106   3.882  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  10  13
ENDBRANCH   9  10
ENDBRANCH   1   9
BRANCH   3  17
ATOM     17  C   LIG    1        0.655   1.441  -0.940  0.00  0.00    +0.143 C 
BRANCH  17  18
ATOM     18  N   LIG    1        1.791   0.635  -0.555  0.00  0.00    -0.307 N 
ATOM     19  H   LIG    1        1.755  -0.345  -0.792  0.00  0.00    +0.149 HD
ATOM     20  C   LIG    1        2.940   1.208  -0.063  0.00  0.00    +0.244 C 
ATOM     21  O   LIG    1        3.037   2.400   0.207  0.00  0.00    -0.270 OA
BRANCH  20  22
ATOM     22  C   LIG    1        4.096   0.298   0.165  0.00  0.00    +0.037 A 
ATOM     23  C   LIG    1        4.299  -0.862  -0.592  0.00  0.00    +0.013 A 
ATOM     24  C   LIG    1        5.406  -1.680  -0.339  0.00  0.00    +0.013 A 
ATOM     25  C   LIG    1        6.332  -1.345   0.662  0.00  0.00    +0.055 A 
ATOM     26  C   LIG    1        6.125  -0.178   1.413  0.00  0.00    +0.013 A 
ATOM     27  C   LIG    1        5.020   0.641   1.160  0.00  0.00    +0.013 A 
BRANCH  25  28
ATOM     28  C   LIG    1        7.512  -2.243   0.947  0.00  0.00    +0.417 C 
ATOM     29  F   LIG    1        7.213  -3.216   1.850  0.00  0.00    -0.166 F 
ATOM     30  F   LIG    1        8.585  -1.575   1.455  0.00  0.00    -0.166 F 
ATOM     31  F   LIG    1        7.968  -2.889  -0.163  0.00  0.00    -0.166 F 
ENDBRANCH  25  28
ENDBRANCH  20  22
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 10