REMARK  Name = BDB056975
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.459   0.773   0.647  0.00  0.00    -0.013 A 
ATOM      2  C   LIG    1       -0.730   0.201   0.147  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1       -1.992   0.475   0.702  0.00  0.00    +0.030 A 
ATOM      4  C   LIG    1       -2.028   1.346   1.803  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1       -0.867   1.926   2.318  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        0.367   1.644   1.741  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1       -3.186  -0.089   0.220  0.00  0.00    -0.324 N 
ATOM      8  C   LIG    1       -4.213   0.930  -0.146  0.00  0.00    +0.180 C 
ATOM      9  C   LIG    1       -5.344   0.361  -1.016  0.00  0.00    +0.264 C 
ATOM     10  F   LIG    1       -6.455   1.132  -0.900  0.00  0.00    -0.204 F 
ATOM     11  F   LIG    1       -4.987   0.402  -2.328  0.00  0.00    -0.204 F 
ATOM     12  C   LIG    1       -5.677  -1.071  -0.645  0.00  0.00    +0.078 C 
ATOM     13  C   LIG    1       -4.449  -1.982  -0.700  0.00  0.00    +0.025 C 
ATOM     14  C   LIG    1       -3.109  -1.235  -0.692  0.00  0.00    +0.105 C 
ENDBRANCH   3   7
BRANCH   1  16
ATOM     15  C   LIG    1        2.825  -0.132   0.721  0.00  0.00    +0.128 A 
ATOM     16  C   LIG    1        1.762   0.478   0.017  0.00  0.00    +0.025 A 
ATOM     17  C   LIG    1        1.958   0.815  -1.338  0.00  0.00    +0.023 A 
ATOM     18  C   LIG    1        3.172   0.563  -1.988  0.00  0.00    +0.018 A 
ATOM     19  C   LIG    1        4.213  -0.037  -1.277  0.00  0.00    +0.015 A 
ATOM     20  C   LIG    1        4.039  -0.380   0.068  0.00  0.00    +0.047 A 
BRANCH  18  21
ATOM     21  C   LIG    1        3.305   0.944  -3.426  0.00  0.00    +0.160 C 
ATOM     22  O   LIG    1        2.330   1.373  -4.040  0.00  0.00    -0.292 OA
ATOM     23  C   LIG    1        4.641   0.787  -4.103  0.00  0.00    +0.091 C 
ENDBRANCH  18  21
BRANCH  15  24
ATOM     24  O   LIG    1        2.580  -0.453   2.032  0.00  0.00    -0.492 OA
BRANCH  24  26
ATOM     25  C   LIG    1        3.059  -1.413   4.155  0.00  0.00    +0.048 C 
ATOM     26  C   LIG    1        3.594  -1.139   2.761  0.00  0.00    +0.226 C 
ENDBRANCH  24  26
ENDBRANCH  15  24
ENDBRANCH   1  16
TORSDOF 5