REMARK  Name = BDB050599
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.582   0.233   1.724  0.00  0.00    -0.028 C 
ATOM      2  C   LIG    1       -2.062  -1.162   1.782  0.00  0.00    -0.011 A 
ATOM      3  C   LIG    1       -1.378  -1.942   0.829  0.00  0.00    -0.010 A 
ATOM      4  C   LIG    1       -1.640  -3.295   0.674  0.00  0.00    +0.012 A 
ATOM      5  C   LIG    1       -2.611  -3.873   1.494  0.00  0.00    +0.039 A 
ATOM      6  C   LIG    1       -3.290  -3.093   2.439  0.00  0.00    +0.124 A 
ATOM      7  F   LIG    1       -4.218  -3.672   3.213  0.00  0.00    -0.205 F 
ATOM      8  C   LIG    1       -0.452  -1.024   0.160  0.00  0.00    -0.016 C 
ATOM      9  C   LIG    1        0.392  -1.364  -0.827  0.00  0.00    +0.016 C 
ATOM     10  C   LIG    1       -3.028  -1.734   2.595  0.00  0.00    +0.047 A 
ATOM     11  C   LIG    1       -0.643   0.286   0.761  0.00  0.00    +0.013 C 
ENDROOT
BRANCH   9  12
ATOM     12  C   LIG    1        1.325  -0.451  -1.495  0.00  0.00    -0.024 A 
ATOM     13  C   LIG    1        1.175  -0.192  -2.861  0.00  0.00    +0.009 A 
ATOM     14  C   LIG    1        2.064   0.663  -3.519  0.00  0.00    +0.015 A 
ATOM     15  C   LIG    1        3.116   1.262  -2.816  0.00  0.00    +0.059 A 
ATOM     16  C   LIG    1        3.274   0.998  -1.451  0.00  0.00    +0.015 A 
ATOM     17  C   LIG    1        2.383   0.142  -0.795  0.00  0.00    +0.009 A 
BRANCH  15  18
ATOM     18  C   LIG    1        4.033   2.163  -3.556  0.00  0.00    +0.337 C 
ATOM     19  O   LIG    1        3.958   2.442  -4.738  0.00  0.00    -0.245 OA
BRANCH  18  20
ATOM     20  O   LIG    1        5.006   2.671  -2.780  0.00  0.00    -0.477 OA
ATOM     21  H   LIG    1        5.522   3.236  -3.392  0.00  0.00    +0.295 HD
ENDBRANCH  18  20
ENDBRANCH  15  18
ENDBRANCH   9  12
BRANCH   1  22
ATOM     22  C   LIG    1       -2.134   1.294   2.620  0.00  0.00    +0.156 C 
BRANCH  22  24
ATOM     23  O   LIG    1       -0.261   2.875   2.323  0.00  0.00    -0.251 OA
ATOM     24  C   LIG    1       -1.427   2.637   2.589  0.00  0.00    +0.309 C 
BRANCH  24  25
ATOM     25  O   LIG    1       -2.244   3.641   2.978  0.00  0.00    -0.480 OA
ATOM     26  H   LIG    1       -1.671   4.436   2.942  0.00  0.00    +0.295 HD
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   1  22
TORSDOF 6