REMARK  Name = BDB050608
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.533  -0.399   0.190  0.00  0.00    -0.043 A 
ATOM      2  C   LIG    1       -1.305  -0.097   0.792  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1       -0.498   0.957   0.321  0.00  0.00    +0.014 A 
ATOM      4  C   LIG    1       -0.919   1.710  -0.792  0.00  0.00    +0.160 A 
ATOM      5  C   LIG    1       -2.144   1.396  -1.392  0.00  0.00    +0.165 A 
ATOM      6  F   LIG    1       -2.596   2.068  -2.461  0.00  0.00    -0.202 F 
ATOM      7  C   LIG    1       -2.943   0.359  -0.909  0.00  0.00    +0.045 A 
ENDROOT
BRANCH   4   8
ATOM      8  O   LIG    1       -0.049   2.689  -1.200  0.00  0.00    -0.492 OA
ATOM      9  C   LIG    1       -0.487   3.572  -2.226  0.00  0.00    +0.277 C 
ENDBRANCH   4   8
BRANCH   1  10
ATOM     10  C   LIG    1       -3.393  -1.525   0.715  0.00  0.00    +0.050 C 
BRANCH  10  11
ATOM     11  C   LIG    1       -4.029  -1.234   2.086  0.00  0.00    +0.102 C 
BRANCH  11  13
ATOM     12  C   LIG    1       -6.219  -0.222   1.163  0.00  0.00    +0.004 C 
ATOM     13  C   LIG    1       -5.028  -0.062   2.099  0.00  0.00    +0.011 C 
ENDBRANCH  11  13
BRANCH  11  14
ATOM     14  C   LIG    1       -4.687  -2.491   2.611  0.00  0.00    +0.308 C 
ATOM     15  O   LIG    1       -5.027  -3.468   1.965  0.00  0.00    -0.251 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -4.888  -2.451   3.943  0.00  0.00    -0.480 OA
ATOM     17  H   LIG    1       -5.315  -3.310   4.149  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  11  14
ENDBRANCH  10  11
ENDBRANCH   1  10
BRANCH   3  18
ATOM     18  C   LIG    1        0.818   1.234   1.005  0.00  0.00    +0.143 C 
BRANCH  18  19
ATOM     19  N   LIG    1        1.922   0.724   0.224  0.00  0.00    -0.307 N 
ATOM     20  H   LIG    1        1.876   0.909  -0.769  0.00  0.00    +0.149 HD
ATOM     21  C   LIG    1        3.164   0.563   0.798  0.00  0.00    +0.244 C 
ATOM     22  O   LIG    1        3.381   0.714   1.995  0.00  0.00    -0.270 OA
BRANCH  21  23
ATOM     23  C   LIG    1        4.280   0.221  -0.129  0.00  0.00    +0.037 A 
ATOM     24  C   LIG    1        4.062  -0.440  -1.344  0.00  0.00    +0.013 A 
ATOM     25  C   LIG    1        5.141  -0.744  -2.180  0.00  0.00    +0.013 A 
ATOM     26  C   LIG    1        6.453  -0.406  -1.809  0.00  0.00    +0.055 A 
ATOM     27  C   LIG    1        6.663   0.251  -0.587  0.00  0.00    +0.013 A 
ATOM     28  C   LIG    1        5.586   0.555   0.250  0.00  0.00    +0.013 A 
BRANCH  26  29
ATOM     29  C   LIG    1        7.614  -0.717  -2.724  0.00  0.00    +0.417 C 
ATOM     30  F   LIG    1        7.860   0.292  -3.604  0.00  0.00    -0.166 F 
ATOM     31  F   LIG    1        7.413  -1.833  -3.480  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1        8.782  -0.926  -2.056  0.00  0.00    -0.166 F 
ENDBRANCH  26  29
ENDBRANCH  21  23
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 10