REMARK  Name = BDB045914
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.029  -1.300   0.071  0.00  0.00    -0.045 A 
ATOM      2  C   LIG    1       -1.142  -0.630  -0.781  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1        0.146  -0.249  -0.358  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1        0.560  -0.557   0.955  0.00  0.00    +0.132 A 
ATOM      5  C   LIG    1       -0.324  -1.244   1.799  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -1.601  -1.611   1.362  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        0.979   0.480  -1.373  0.00  0.00    +0.248 C 
ATOM      8  N   LIG    1        2.304   0.690  -1.077  0.00  0.00    -0.307 N 
ATOM      9  H   LIG    1        2.622   0.467  -0.139  0.00  0.00    +0.149 HD
ATOM     10  O   LIG    1        0.479   0.864  -2.428  0.00  0.00    -0.270 OA
BRANCH   8  11
ATOM     11  C   LIG    1        3.148   1.490  -1.926  0.00  0.00    +0.139 C 
BRANCH  11  12
ATOM     12  C   LIG    1        4.576   1.448  -1.451  0.00  0.00    -0.030 A 
ATOM     13  C   LIG    1        5.066   2.426  -0.576  0.00  0.00    +0.006 A 
ATOM     14  C   LIG    1        6.383   2.368  -0.115  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1        7.232   1.323  -0.509  0.00  0.00    +0.055 A 
ATOM     16  C   LIG    1        6.739   0.343  -1.382  0.00  0.00    +0.013 A 
ATOM     17  C   LIG    1        5.421   0.401  -1.842  0.00  0.00    +0.006 A 
BRANCH  15  18
ATOM     18  C   LIG    1        8.660   1.276  -0.023  0.00  0.00    +0.417 C 
ATOM     19  F   LIG    1        8.794   1.686   1.270  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1        9.207   0.029  -0.073  0.00  0.00    -0.166 F 
ATOM     21  F   LIG    1        9.484   2.076  -0.755  0.00  0.00    -0.166 F 
ENDBRANCH  15  18
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   3   7
BRANCH   4  22
ATOM     22  O   LIG    1        1.815  -0.160   1.342  0.00  0.00    -0.494 OA
ATOM     23  C   LIG    1        2.219  -0.427   2.681  0.00  0.00    +0.277 C 
ENDBRANCH   4  22
BRANCH   1  24
ATOM     24  C   LIG    1       -3.416  -1.677  -0.406  0.00  0.00    +0.053 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.548  -0.626  -0.179  0.00  0.00    +0.071 C 
BRANCH  25  27
ATOM     26  C   LIG    1       -6.457  -2.400  -0.347  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1       -5.852  -1.107  -0.884  0.00  0.00    +0.015 C 
ENDBRANCH  25  27
BRANCH  25  28
ATOM     28  C   LIG    1       -4.123   0.692  -0.835  0.00  0.00    +0.311 C 
ATOM     29  O   LIG    1       -3.905   1.756  -0.279  0.00  0.00    -0.250 OA
BRANCH  28  30
ATOM     30  O   LIG    1       -3.975   0.601  -2.173  0.00  0.00    -0.480 OA
ATOM     31  H   LIG    1       -3.650   1.489  -2.437  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  25  28
BRANCH  25  32
ATOM     32  C   LIG    1       -4.763  -0.396   1.347  0.00  0.00    +0.015 C 
ATOM     33  C   LIG    1       -5.984   0.438   1.730  0.00  0.00    +0.005 C 
ENDBRANCH  25  32
ENDBRANCH  24  25
ENDBRANCH   1  24
TORSDOF 11