REMARK  Name = BDB045291
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.988   0.873   0.104  0.00  0.00    +0.146 A 
ATOM      2  C   LIG    1       -2.020  -0.153   0.073  0.00  0.00    +0.120 A 
ATOM      3  C   LIG    1       -2.457  -1.482   0.089  0.00  0.00    +0.068 A 
ATOM      4  C   LIG    1       -1.433  -2.538   0.048  0.00  0.00    +0.260 A 
ATOM      5  N   LIG    1       -0.132  -2.110   0.032  0.00  0.00    -0.306 N 
ATOM      6  H   LIG    1        0.552  -2.847  -0.049  0.00  0.00    +0.170 HD
ATOM      7  C   LIG    1        0.228  -0.783   0.017  0.00  0.00    +0.142 A 
ATOM      8  O   LIG    1       -1.722  -3.729   0.023  0.00  0.00    -0.267 OA
ATOM      9  C   LIG    1       -3.814  -1.811   0.133  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1       -4.761  -0.793   0.164  0.00  0.00    +0.004 A 
ATOM     11  N   LIG    1       -0.646   0.171   0.028  0.00  0.00    -0.225 NA
ATOM     12  C   LIG    1       -4.351   0.544   0.149  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   7  13
ATOM     13  C   LIG    1        1.683  -0.474  -0.030  0.00  0.00    +0.017 A 
ATOM     14  C   LIG    1        2.646  -1.345   0.493  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1        4.004  -1.012   0.427  0.00  0.00    +0.013 A 
ATOM     16  C   LIG    1        4.419   0.194  -0.160  0.00  0.00    +0.055 A 
ATOM     17  C   LIG    1        3.447   1.073  -0.661  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1        2.091   0.741  -0.595  0.00  0.00    +0.012 A 
BRANCH  16  19
ATOM     19  C   LIG    1        5.884   0.561  -0.207  0.00  0.00    +0.417 C 
ATOM     20  F   LIG    1        6.698  -0.525  -0.326  0.00  0.00    -0.166 F 
ATOM     21  F   LIG    1        6.290   1.212   0.917  0.00  0.00    -0.166 F 
ATOM     22  F   LIG    1        6.199   1.377  -1.250  0.00  0.00    -0.166 F 
ENDBRANCH  16  19
ENDBRANCH   7  13
BRANCH   1  24
ATOM     23  C   LIG    1       -3.442   3.220   0.148  0.00  0.00    +0.277 C 
ATOM     24  O   LIG    1       -2.502   2.158   0.083  0.00  0.00    -0.493 OA
ENDBRANCH   1  24
TORSDOF 3