REMARK  Name = BDB063589
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.194  -1.787  -2.462  0.00  0.00    +0.145 C 
ENDROOT
BRANCH   1   8
ATOM      2  C   LIG    1       -4.579  -0.323  -1.847  0.00  0.00    +0.047 C 
ATOM      3  C   LIG    1       -3.302  -0.827  -1.237  0.00  0.00    -0.008 A 
ATOM      4  C   LIG    1       -3.170  -1.062   0.143  0.00  0.00    +0.128 A 
ATOM      5  C   LIG    1       -1.998  -1.634   0.664  0.00  0.00    -0.008 A 
ATOM      6  C   LIG    1       -1.850  -1.979   2.118  0.00  0.00    +0.047 C 
ATOM      7  C   LIG    1       -0.911  -1.853  -0.194  0.00  0.00    +0.012 A 
ATOM      8  C   LIG    1       -0.996  -1.565  -1.562  0.00  0.00    -0.029 A 
ATOM      9  C   LIG    1       -2.198  -1.061  -2.073  0.00  0.00    +0.012 A 
BRANCH   4  10
ATOM     10  O   LIG    1       -4.227  -0.830   0.983  0.00  0.00    -0.475 OA
BRANCH  10  11
ATOM     11  C   LIG    1       -4.343   0.504   1.547  0.00  0.00    +0.200 C 
ATOM     12  C   LIG    1       -4.395   0.343   3.072  0.00  0.00    +0.067 C 
ATOM     13  C   LIG    1       -3.265   1.532   1.172  0.00  0.00    +0.067 C 
BRANCH  11  14
ATOM     14  C   LIG    1       -5.727   1.031   1.126  0.00  0.00    +0.348 C 
ATOM     15  O   LIG    1       -6.068   2.205   1.139  0.00  0.00    -0.247 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -6.580   0.038   0.760  0.00  0.00    -0.478 OA
ATOM     17  H   LIG    1       -6.107  -0.824   0.784  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        1.210  -0.769  -2.278  0.00  0.00    -0.272 N 
ATOM     19  C   LIG    1        2.322  -0.906  -1.464  0.00  0.00    +0.316 C 
ATOM     20  O   LIG    1        2.585  -1.952  -0.886  0.00  0.00    -0.252 OA
ATOM     21  N   LIG    1        2.993   0.305  -1.427  0.00  0.00    -0.193 N 
ATOM     22  C   LIG    1        2.285   1.232  -2.167  0.00  0.00    +0.245 C 
ATOM     23  O   LIG    1        2.540   2.411  -2.390  0.00  0.00    -0.273 OA
ATOM     24  C   LIG    1        1.040   0.578  -2.731  0.00  0.00    +0.206 C 
BRANCH  21  25
ATOM     25  C   LIG    1        4.210   0.559  -0.718  0.00  0.00    +0.045 A 
ATOM     26  C   LIG    1        4.951  -0.478  -0.126  0.00  0.00    +0.024 A 
ATOM     27  C   LIG    1        6.146  -0.233   0.568  0.00  0.00    +0.014 A 
ATOM     28  C   LIG    1        6.649   1.065   0.691  0.00  0.00    +0.055 A 
ATOM     29  C   LIG    1        5.922   2.109   0.116  0.00  0.00    +0.014 A 
ATOM     30  C   LIG    1        4.728   1.857  -0.578  0.00  0.00    +0.024 A 
BRANCH  28  31
ATOM     31  C   LIG    1        7.921   1.331   1.456  0.00  0.00    +0.417 C 
ATOM     32  F   LIG    1        7.698   1.490   2.790  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1        8.830   0.322   1.347  0.00  0.00    -0.166 F 
ATOM     34  F   LIG    1        8.567   2.459   1.047  0.00  0.00    -0.166 F 
ENDBRANCH  28  31
ENDBRANCH  21  25
ENDBRANCH   1  18
TORSDOF 8