REMARK  Name = BDB063581
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.006   0.591   2.386  0.00  0.00    +0.153 C 
ENDROOT
BRANCH   1   6
ATOM      2  C   LIG    1       -3.280   0.048  -0.400  0.00  0.00    +0.192 A 
ATOM      3  C   LIG    1       -2.428  -1.008  -0.087  0.00  0.00    +0.168 A 
ATOM      4  F   LIG    1       -2.601  -2.208  -0.660  0.00  0.00    -0.202 F 
ATOM      5  C   LIG    1       -1.384  -0.847   0.824  0.00  0.00    +0.047 A 
ATOM      6  C   LIG    1       -1.159   0.398   1.428  0.00  0.00    -0.024 A 
ATOM      7  C   LIG    1       -1.985   1.475   1.077  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1       -3.025   1.295   0.165  0.00  0.00    +0.168 A 
ATOM      9  F   LIG    1       -3.784   2.351  -0.160  0.00  0.00    -0.202 F 
BRANCH   2  10
ATOM     10  O   LIG    1       -4.246  -0.096  -1.354  0.00  0.00    -0.469 OA
BRANCH  10  12
ATOM     11  C   LIG    1       -5.566  -1.903  -0.311  0.00  0.00    +0.067 C 
ATOM     12  C   LIG    1       -5.569  -0.495  -0.922  0.00  0.00    +0.201 C 
ATOM     13  C   LIG    1       -6.197   0.534   0.028  0.00  0.00    +0.067 C 
BRANCH  12  14
ATOM     14  C   LIG    1       -6.411  -0.531  -2.226  0.00  0.00    +0.348 C 
ATOM     15  O   LIG    1       -5.990  -0.264  -3.344  0.00  0.00    -0.247 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -7.711  -0.891  -2.059  0.00  0.00    -0.478 OA
ATOM     17  H   LIG    1       -7.988  -1.092  -1.148  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  12  14
ENDBRANCH  10  12
ENDBRANCH   2  10
ENDBRANCH   1   6
BRANCH   1  18
ATOM     18  N   LIG    1        1.205   0.956   1.690  0.00  0.00    -0.220 N 
ATOM     19  C   LIG    1        2.125   0.057   1.219  0.00  0.00    +0.316 C 
ATOM     20  O   LIG    1        2.027  -1.153   1.366  0.00  0.00    -0.252 OA
ATOM     21  N   LIG    1        3.146   0.776   0.577  0.00  0.00    -0.246 N 
ATOM     22  C   LIG    1        2.873   2.196   0.630  0.00  0.00    +0.211 C 
ATOM     23  C   LIG    1        1.568   2.231   1.390  0.00  0.00    +0.241 C 
ATOM     24  O   LIG    1        0.957   3.251   1.680  0.00  0.00    -0.273 OA
BRANCH  21  25
ATOM     25  C   LIG    1        4.301   0.249  -0.060  0.00  0.00    +0.038 A 
ATOM     26  C   LIG    1        5.235   1.107  -0.664  0.00  0.00    +0.024 A 
ATOM     27  C   LIG    1        6.382   0.610  -1.296  0.00  0.00    +0.014 A 
ATOM     28  C   LIG    1        6.635  -0.765  -1.339  0.00  0.00    +0.055 A 
ATOM     29  C   LIG    1        5.705  -1.628  -0.749  0.00  0.00    +0.014 A 
ATOM     30  C   LIG    1        4.559  -1.126  -0.117  0.00  0.00    +0.024 A 
BRANCH  28  31
ATOM     31  C   LIG    1        7.858  -1.305  -2.038  0.00  0.00    +0.417 C 
ATOM     32  F   LIG    1        8.925  -0.461  -1.969  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1        7.641  -1.526  -3.363  0.00  0.00    -0.166 F 
ATOM     34  F   LIG    1        8.290  -2.491  -1.525  0.00  0.00    -0.166 F 
ENDBRANCH  28  31
ENDBRANCH  21  25
ENDBRANCH   1  18
TORSDOF 8