REMARK  Name = BDB046263
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.081  -0.763   1.219  0.00  0.00    +0.020 A 
ATOM      2  C   LIG    1       -0.929  -0.746   0.235  0.00  0.00    +0.132 A 
ATOM      3  C   LIG    1       -1.937   0.235   0.238  0.00  0.00    -0.002 A 
ATOM      4  C   LIG    1       -1.953   1.161   1.298  0.00  0.00    +0.011 A 
ATOM      5  C   LIG    1       -0.982   1.144   2.312  0.00  0.00    -0.044 A 
ATOM      6  C   LIG    1        0.035   0.182   2.253  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        1.170  -2.780   2.270  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1        1.202  -1.730   1.192  0.00  0.00    -0.040 C 
ATOM      9  C   LIG    1        2.202  -1.681   0.288  0.00  0.00    +0.004 C 
BRANCH   9  10
ATOM     10  C   LIG    1        2.368  -0.701  -0.769  0.00  0.00    +0.001 C 
ATOM     11  C   LIG    1        3.381  -0.741  -1.650  0.00  0.00    +0.003 C 
BRANCH  11  12
ATOM     12  C   LIG    1        3.614   0.203  -2.745  0.00  0.00    -0.044 C 
ATOM     13  C   LIG    1        4.675   0.001  -3.552  0.00  0.00    +0.094 C 
ATOM     14  C   LIG    1        2.654   1.359  -2.899  0.00  0.00    +0.044 C 
BRANCH  13  15
ATOM     15  C   LIG    1        5.003   0.852  -4.710  0.00  0.00    +0.330 C 
ATOM     16  O   LIG    1        4.228   1.153  -5.598  0.00  0.00    -0.246 OA
BRANCH  15  17
ATOM     17  O   LIG    1        6.293   1.240  -4.671  0.00  0.00    -0.478 OA
ATOM     18  H   LIG    1        6.756   0.997  -3.848  0.00  0.00    +0.295 HD
ENDBRANCH  15  17
ENDBRANCH  13  15
ENDBRANCH  11  12
ENDBRANCH   9  10
ENDBRANCH   1   8
BRANCH   3  19
ATOM     19  C   LIG    1       -2.974   0.323  -0.872  0.00  0.00    +0.016 C 
ATOM     20  C   LIG    1       -2.919   1.674  -1.593  0.00  0.00    +0.012 C 
ATOM     21  C   LIG    1       -4.383   0.046  -0.341  0.00  0.00    +0.012 C 
ENDBRANCH   3  19
BRANCH   5  22
ATOM     22  C   LIG    1       -0.998   2.155   3.447  0.00  0.00    +0.013 C 
ATOM     23  C   LIG    1       -0.791   3.580   2.929  0.00  0.00    +0.012 C 
ATOM     24  C   LIG    1       -2.282   2.055   4.274  0.00  0.00    +0.012 C 
ENDBRANCH   5  22
BRANCH   2  25
ATOM     25  O   LIG    1       -0.886  -1.667  -0.785  0.00  0.00    -0.482 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -1.611  -2.856  -0.427  0.00  0.00    +0.342 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -1.040  -4.072  -1.137  0.00  0.00    +0.424 C 
ATOM     28  F   LIG    1       -1.774  -5.172  -0.836  0.00  0.00    -0.167 F 
ATOM     29  F   LIG    1        0.232  -4.331  -0.762  0.00  0.00    -0.167 F 
ATOM     30  F   LIG    1       -1.065  -3.933  -2.480  0.00  0.00    -0.167 F 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH   2  25
TORSDOF 10