REMARK  Name = BDB063577
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.464   1.804  -1.856  0.00  0.00    +0.153 C 
ENDROOT
BRANCH   1   8
ATOM      2  C   LIG    1       -2.343  -2.083  -0.350  0.00  0.00    +0.047 C 
ATOM      3  C   LIG    1       -2.044  -0.614  -0.272  0.00  0.00    -0.008 A 
ATOM      4  C   LIG    1       -2.771   0.260   0.551  0.00  0.00    +0.128 A 
ATOM      5  C   LIG    1       -2.393   1.607   0.678  0.00  0.00    -0.008 A 
ATOM      6  C   LIG    1       -3.093   2.539   1.626  0.00  0.00    +0.047 C 
ATOM      7  C   LIG    1       -1.357   2.103  -0.127  0.00  0.00    +0.012 A 
ATOM      8  C   LIG    1       -0.672   1.266  -1.016  0.00  0.00    -0.029 A 
ATOM      9  C   LIG    1       -1.012  -0.092  -1.069  0.00  0.00    +0.012 A 
BRANCH   4  10
ATOM     10  O   LIG    1       -3.795  -0.206   1.328  0.00  0.00    -0.475 OA
BRANCH  10  11
ATOM     11  C   LIG    1       -5.104  -0.295   0.723  0.00  0.00    +0.200 C 
ATOM     12  C   LIG    1       -6.082   0.336   1.728  0.00  0.00    +0.067 C 
ATOM     13  C   LIG    1       -5.292   0.406  -0.636  0.00  0.00    +0.067 C 
BRANCH  11  14
ATOM     14  C   LIG    1       -5.497  -1.775   0.588  0.00  0.00    +0.348 C 
ATOM     15  O   LIG    1       -5.978  -2.319  -0.396  0.00  0.00    -0.247 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -5.281  -2.503   1.705  0.00  0.00    -0.478 OA
ATOM     17  H   LIG    1       -5.558  -3.410   1.460  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  11  14
ENDBRANCH  10  11
ENDBRANCH   4  10
ENDBRANCH   1   8
BRANCH   1  18
ATOM     18  N   LIG    1        1.730   1.685  -1.172  0.00  0.00    -0.220 N 
ATOM     19  C   LIG    1        2.556   0.596  -1.260  0.00  0.00    +0.316 C 
ATOM     20  O   LIG    1        2.332  -0.377  -1.966  0.00  0.00    -0.252 OA
ATOM     21  N   LIG    1        3.664   0.821  -0.425  0.00  0.00    -0.246 N 
ATOM     22  C   LIG    1        3.545   2.103   0.232  0.00  0.00    +0.211 C 
ATOM     23  C   LIG    1        2.237   2.618  -0.322  0.00  0.00    +0.241 C 
ATOM     24  O   LIG    1        1.743   3.701  -0.041  0.00  0.00    -0.273 OA
BRANCH  21  25
ATOM     25  C   LIG    1        4.768  -0.046  -0.204  0.00  0.00    +0.039 A 
ATOM     26  C   LIG    1        4.877  -1.292  -0.837  0.00  0.00    +0.036 A 
ATOM     27  C   LIG    1        5.976  -2.145  -0.613  0.00  0.00    +0.057 A 
ATOM     28  C   LIG    1        6.985  -1.739   0.266  0.00  0.00    +0.012 A 
ATOM     29  C   LIG    1        6.897  -0.507   0.904  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1        5.800   0.329   0.671  0.00  0.00    +0.023 A 
BRANCH  27  31
ATOM     31  C   LIG    1        6.044  -3.477  -1.320  0.00  0.00    +0.417 C 
ATOM     32  F   LIG    1        6.058  -3.348  -2.676  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1        4.984  -4.280  -1.028  0.00  0.00    -0.166 F 
ATOM     34  F   LIG    1        7.155  -4.201  -1.006  0.00  0.00    -0.166 F 
ENDBRANCH  27  31
ENDBRANCH  21  25
ENDBRANCH   1  18
TORSDOF 8