REMARK  Name = BDB046417
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.681   1.134  -0.130  0.00  0.00    -0.005 A 
ATOM      2  C   LIG    1       -1.509   0.385  -0.425  0.00  0.00    +0.132 A 
ATOM      3  C   LIG    1       -1.443  -1.024  -0.289  0.00  0.00    +0.040 A 
ATOM      4  C   LIG    1       -2.597  -1.611   0.242  0.00  0.00    +0.174 A 
ATOM      5  C   LIG    1       -3.746  -0.934   0.593  0.00  0.00    +0.054 A 
ATOM      6  C   LIG    1       -4.622  -1.948   1.072  0.00  0.00    +0.193 A 
ATOM      7  N   LIG    1       -4.034  -3.155   1.017  0.00  0.00    -0.073 NA
ATOM      8  O   LIG    1       -2.776  -2.939   0.488  0.00  0.00    -0.354 OA
ATOM      9  C   LIG    1       -3.800   0.457   0.395  0.00  0.00    +0.021 A 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1       -6.005  -1.768   1.590  0.00  0.00    +0.438 C 
ATOM     11  F   LIG    1       -6.006  -1.298   2.867  0.00  0.00    -0.164 F 
ATOM     12  F   LIG    1       -6.705  -0.860   0.853  0.00  0.00    -0.164 F 
ATOM     13  F   LIG    1       -6.742  -2.909   1.591  0.00  0.00    -0.164 F 
ENDBRANCH   6  10
BRANCH   1  14
ATOM     14  C   LIG    1       -2.744   2.621  -0.448  0.00  0.00    +0.038 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -4.195   3.745   1.325  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1       -4.031   3.405  -0.151  0.00  0.00    +0.001 C 
ENDBRANCH  14  16
ENDBRANCH   1  14
BRANCH   2  17
ATOM     17  O   LIG    1       -0.415   1.017  -0.987  0.00  0.00    -0.472 OA
BRANCH  17  18
ATOM     18  C   LIG    1        0.401   1.712  -0.009  0.00  0.00    +0.311 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.701   0.964   0.211  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1        2.566   0.677  -0.856  0.00  0.00    +0.008 A 
ATOM     21  C   LIG    1        3.750  -0.032  -0.642  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1        4.101  -0.471   0.641  0.00  0.00    -0.045 A 
ATOM     23  C   LIG    1        3.240  -0.177   1.707  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1        2.055   0.532   1.496  0.00  0.00    +0.008 A 
BRANCH  22  25
ATOM     25  C   LIG    1        5.380  -1.250   0.895  0.00  0.00    +0.013 C 
ATOM     26  C   LIG    1        6.621  -0.427   0.540  0.00  0.00    +0.012 C 
ATOM     27  C   LIG    1        5.379  -2.587   0.150  0.00  0.00    +0.012 C 
ENDBRANCH  22  25
ENDBRANCH  18  19
BRANCH  18  28
ATOM     28  C   LIG    1        0.674   3.125  -0.554  0.00  0.00    +0.351 C 
ATOM     29  O   LIG    1        1.170   4.040   0.089  0.00  0.00    -0.246 OA
BRANCH  28  30
ATOM     30  O   LIG    1        0.297   3.279  -1.853  0.00  0.00    -0.478 OA
ATOM     31  H   LIG    1       -0.088   2.439  -2.189  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  18  28
ENDBRANCH  17  18
ENDBRANCH   2  17
BRANCH   3  32
ATOM     32  C   LIG    1       -0.265  -1.858  -0.718  0.00  0.00    +0.042 C 
BRANCH  32  33
ATOM     33  C   LIG    1       -0.160  -1.982  -2.239  0.00  0.00    +0.001 C 
ATOM     34  C   LIG    1        1.022  -2.849  -2.643  0.00  0.00    +0.004 C 
ENDBRANCH  32  33
ENDBRANCH   3  32
TORSDOF 11