REMARK  Name = BDB033121
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.872  -1.690  -2.457  0.00  0.00    +0.022 C 
ATOM      2  C   LIG    1        0.147  -1.896  -1.122  0.00  0.00    +0.061 C 
ATOM      3  C   LIG    1        0.137  -0.659  -0.190  0.00  0.00    +0.105 C 
ATOM      4  C   LIG    1       -0.995   0.210  -0.748  0.00  0.00    +0.131 C 
ATOM      5  N   LIG    1       -1.929  -0.777  -1.242  0.00  0.00    -0.295 N 
ATOM      6  C   LIG    1       -1.348  -2.026  -1.408  0.00  0.00    +0.223 C 
ATOM      7  O   LIG    1       -1.921  -3.046  -1.757  0.00  0.00    -0.275 OA
ATOM      8  C   LIG    1        0.687  -3.139  -0.416  0.00  0.00    +0.022 C 
ENDROOT
BRANCH   3   9
ATOM      9  N   LIG    1        1.423  -0.026   0.077  0.00  0.00    -0.306 N 
ATOM     10  H   LIG    1        1.835  -0.233   0.977  0.00  0.00    +0.149 HD
ATOM     11  C   LIG    1        2.068   0.855  -0.761  0.00  0.00    +0.248 C 
ATOM     12  O   LIG    1        1.587   1.290  -1.802  0.00  0.00    -0.270 OA
BRANCH  11  13
ATOM     13  C   LIG    1        3.413   1.342  -0.340  0.00  0.00    +0.079 A 
ATOM     14  C   LIG    1        3.885   2.569  -0.830  0.00  0.00    +0.129 A 
ATOM     15  C   LIG    1        5.129   3.060  -0.441  0.00  0.00    +0.047 A 
ATOM     16  C   LIG    1        5.931   2.320   0.428  0.00  0.00    +0.016 A 
ATOM     17  C   LIG    1        5.495   1.079   0.914  0.00  0.00    +0.056 A 
ATOM     18  C   LIG    1        4.236   0.591   0.514  0.00  0.00    +0.029 A 
BRANCH  17  19
ATOM     19  C   LIG    1        6.381   0.255   1.819  0.00  0.00    +0.417 C 
ATOM     20  F   LIG    1        5.666  -0.499   2.702  0.00  0.00    -0.166 F 
ATOM     21  F   LIG    1        7.157  -0.619   1.125  0.00  0.00    -0.166 F 
ATOM     22  F   LIG    1        7.230   1.005   2.571  0.00  0.00    -0.166 F 
ENDBRANCH  17  19
BRANCH  14  23
ATOM     23  O   LIG    1        3.177   3.349  -1.705  0.00  0.00    -0.506 OA
ATOM     24  H   LIG    1        2.418   2.819  -2.038  0.00  0.00    +0.292 HD
ENDBRANCH  14  23
ENDBRANCH  11  13
ENDBRANCH   3   9
BRANCH   5  25
ATOM     25  C   LIG    1       -3.328  -0.488  -1.476  0.00  0.00    +0.143 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -4.113  -0.452  -0.187  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1       -4.516   0.767   0.378  0.00  0.00    +0.017 A 
ATOM     28  C   LIG    1       -5.235   0.802   1.585  0.00  0.00    +0.055 A 
ATOM     29  C   LIG    1       -5.535  -0.406   2.232  0.00  0.00    +0.012 A 
ATOM     30  C   LIG    1       -5.136  -1.622   1.680  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1       -4.429  -1.645   0.478  0.00  0.00    +0.005 A 
BRANCH  28  32
ATOM     32  C   LIG    1       -5.641   2.122   2.193  0.00  0.00    +0.417 C 
ATOM     33  F   LIG    1       -4.651   2.663   2.957  0.00  0.00    -0.166 F 
ATOM     34  F   LIG    1       -6.731   2.031   3.004  0.00  0.00    -0.166 F 
ATOM     35  F   LIG    1       -5.950   3.066   1.260  0.00  0.00    -0.166 F 
ENDBRANCH  28  32
ENDBRANCH  25  26
ENDBRANCH   5  25
TORSDOF 7