REMARK  Name = BDB046427
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.202  -0.226   1.306  0.00  0.00    +0.020 A 
ATOM      2  C   LIG    1       -1.197  -1.063   0.753  0.00  0.00    +0.132 A 
ATOM      3  C   LIG    1       -2.322  -0.523   0.089  0.00  0.00    +0.001 A 
ATOM      4  C   LIG    1       -2.325   0.879  -0.110  0.00  0.00    +0.012 A 
ATOM      5  C   LIG    1       -1.321   1.743   0.376  0.00  0.00    -0.041 A 
ATOM      6  C   LIG    1       -0.282   1.163   1.109  0.00  0.00    +0.016 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -3.512  -1.378  -0.419  0.00  0.00    -0.009 C 
ATOM      8  C   LIG    1       -3.998  -2.390   0.646  0.00  0.00    +0.015 C 
ATOM      9  C   LIG    1       -4.767  -0.536  -0.781  0.00  0.00    +0.015 C 
ATOM     10  C   LIG    1       -3.101  -2.127  -1.701  0.00  0.00    +0.015 C 
ENDBRANCH   3   7
BRANCH   5  11
ATOM     11  C   LIG    1       -1.410   3.258   0.116  0.00  0.00    -0.013 C 
ATOM     12  C   LIG    1       -2.695   3.821   0.760  0.00  0.00    +0.015 C 
ATOM     13  C   LIG    1       -0.220   4.062   0.690  0.00  0.00    +0.015 C 
ATOM     14  C   LIG    1       -1.442   3.525  -1.405  0.00  0.00    +0.015 C 
ENDBRANCH   5  11
BRANCH   1  16
ATOM     15  C   LIG    1        0.478  -1.278   3.490  0.00  0.00    +0.044 C 
ATOM     16  C   LIG    1        0.907  -0.725   2.156  0.00  0.00    -0.040 C 
ATOM     17  C   LIG    1        2.207  -0.682   1.796  0.00  0.00    +0.004 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.740  -0.206   0.533  0.00  0.00    +0.001 C 
ATOM     19  C   LIG    1        4.057  -0.177   0.264  0.00  0.00    +0.006 C 
BRANCH  19  20
ATOM     20  C   LIG    1        4.685   0.284  -0.981  0.00  0.00    -0.008 C 
ATOM     21  C   LIG    1        6.029   0.234  -1.086  0.00  0.00    +0.210 C 
ATOM     22  F   LIG    1        6.762  -0.243  -0.046  0.00  0.00    -0.198 F 
ATOM     23  C   LIG    1        3.763   0.790  -2.064  0.00  0.00    +0.047 C 
BRANCH  21  24
ATOM     24  C   LIG    1        6.887   0.642  -2.232  0.00  0.00    +0.366 C 
ATOM     25  O   LIG    1        6.514   1.113  -3.290  0.00  0.00    -0.243 OA
BRANCH  24  26
ATOM     26  O   LIG    1        8.195   0.423  -1.952  0.00  0.00    -0.476 OA
ATOM     27  H   LIG    1        8.325   0.039  -1.061  0.00  0.00    +0.295 HD
ENDBRANCH  24  26
ENDBRANCH  21  24
ENDBRANCH  19  20
ENDBRANCH  17  18
ENDBRANCH   1  16
BRANCH   2  28
ATOM     28  O   LIG    1       -1.113  -2.426   0.915  0.00  0.00    -0.485 OA
BRANCH  28  29
ATOM     29  C   LIG    1       -0.068  -3.007   0.114  0.00  0.00    +0.300 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -0.337  -4.493  -0.058  0.00  0.00    +0.378 C 
ATOM     31  F   LIG    1        0.111  -5.175   1.029  0.00  0.00    -0.206 F 
ATOM     32  F   LIG    1        0.364  -4.965  -1.121  0.00  0.00    -0.206 F 
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH   2  28
TORSDOF 10