REMARK  Name = BDB046406
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.769  -1.317   0.170  0.00  0.00    -0.005 A 
ATOM      2  C   LIG    1       -0.686  -0.012  -0.369  0.00  0.00    +0.132 A 
ATOM      3  C   LIG    1       -1.748   0.918  -0.250  0.00  0.00    +0.040 A 
ATOM      4  C   LIG    1       -2.817   0.483   0.546  0.00  0.00    +0.174 A 
ATOM      5  C   LIG    1       -2.916  -0.755   1.150  0.00  0.00    +0.054 A 
ATOM      6  C   LIG    1       -4.164  -0.718   1.830  0.00  0.00    +0.193 A 
ATOM      7  N   LIG    1       -4.772   0.468   1.654  0.00  0.00    -0.073 NA
ATOM      8  O   LIG    1       -3.935   1.204   0.837  0.00  0.00    -0.354 OA
ATOM      9  C   LIG    1       -1.884  -1.684   0.951  0.00  0.00    +0.021 A 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1       -4.767  -1.798   2.656  0.00  0.00    +0.438 C 
ATOM     11  F   LIG    1       -4.574  -3.027   2.101  0.00  0.00    -0.164 F 
ATOM     12  F   LIG    1       -6.108  -1.666   2.833  0.00  0.00    -0.164 F 
ATOM     13  F   LIG    1       -4.211  -1.852   3.897  0.00  0.00    -0.164 F 
ENDBRANCH   6  10
BRANCH   1  14
ATOM     14  C   LIG    1        0.276  -2.380  -0.105  0.00  0.00    +0.038 C 
BRANCH  14  16
ATOM     15  C   LIG    1        1.246  -3.990  -1.782  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1        0.196  -2.918  -1.535  0.00  0.00    +0.001 C 
ENDBRANCH  14  16
ENDBRANCH   1  14
BRANCH   2  17
ATOM     17  O   LIG    1        0.428   0.307  -1.117  0.00  0.00    -0.472 OA
BRANCH  17  18
ATOM     18  C   LIG    1        1.356   1.151  -0.413  0.00  0.00    +0.311 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.574   0.336   0.001  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1        3.401  -0.258  -0.968  0.00  0.00    +0.008 A 
ATOM     21  C   LIG    1        4.525  -0.988  -0.585  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        4.834  -1.137   0.766  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        4.017  -0.560   1.737  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        2.891   0.172   1.359  0.00  0.00    +0.008 A 
ENDBRANCH  18  19
BRANCH  18  25
ATOM     25  C   LIG    1        1.782   2.366  -1.275  0.00  0.00    +0.351 C 
ATOM     26  O   LIG    1        1.278   2.686  -2.343  0.00  0.00    -0.246 OA
BRANCH  25  27
ATOM     27  O   LIG    1        2.772   3.120  -0.724  0.00  0.00    -0.478 OA
ATOM     28  H   LIG    1        3.168   2.741   0.085  0.00  0.00    +0.295 HD
ENDBRANCH  25  27
ENDBRANCH  18  25
ENDBRANCH  17  18
ENDBRANCH   2  17
BRANCH   3  29
ATOM     29  C   LIG    1       -1.799   2.243  -0.963  0.00  0.00    +0.042 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -1.532   3.430  -0.035  0.00  0.00    +0.001 C 
ATOM     31  C   LIG    1       -1.566   4.746  -0.797  0.00  0.00    +0.004 C 
ENDBRANCH  29  30
ENDBRANCH   3  29
TORSDOF 10