REMARK  Name = BDB063588
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.049   2.346   0.507  0.00  0.00    -0.220 N 
ATOM      2  C   LIG    1        1.875   1.660  -0.344  0.00  0.00    +0.316 C 
ATOM      3  O   LIG    1        1.677   1.550  -1.546  0.00  0.00    -0.252 OA
ATOM      4  N   LIG    1        2.945   1.147   0.407  0.00  0.00    -0.246 N 
ATOM      5  C   LIG    1        2.799   1.507   1.800  0.00  0.00    +0.211 C 
ATOM      6  C   LIG    1        1.522   2.314   1.781  0.00  0.00    +0.241 C 
ATOM      7  O   LIG    1        1.022   2.845   2.764  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1        4.036   0.369  -0.065  0.00  0.00    +0.038 A 
ATOM      9  C   LIG    1        5.026  -0.082   0.824  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1        6.111  -0.850   0.380  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1        6.237  -1.195  -0.970  0.00  0.00    +0.055 A 
ATOM     12  C   LIG    1        5.260  -0.745  -1.863  0.00  0.00    +0.014 A 
ATOM     13  C   LIG    1        4.176   0.023  -1.414  0.00  0.00    +0.024 A 
BRANCH  11  14
ATOM     14  C   LIG    1        7.416  -2.007  -1.445  0.00  0.00    +0.417 C 
ATOM     15  F   LIG    1        7.239  -2.552  -2.680  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1        8.556  -1.266  -1.522  0.00  0.00    -0.166 F 
ATOM     17  F   LIG    1        7.705  -3.050  -0.617  0.00  0.00    -0.166 F 
ENDBRANCH  11  14
ENDBRANCH   4   8
BRANCH   1  18
ATOM     18  C   LIG    1       -0.184   2.983   0.108  0.00  0.00    +0.153 C 
BRANCH  18  22
ATOM     19  C   LIG    1       -3.511   0.237   0.514  0.00  0.00    +0.122 A 
ATOM     20  C   LIG    1       -2.761   0.267  -0.658  0.00  0.00    +0.046 A 
ATOM     21  C   LIG    1       -1.694   1.163  -0.792  0.00  0.00    +0.009 A 
ATOM     22  C   LIG    1       -1.360   2.044   0.245  0.00  0.00    -0.029 A 
ATOM     23  C   LIG    1       -2.102   1.998   1.429  0.00  0.00    +0.009 A 
ATOM     24  C   LIG    1       -3.167   1.103   1.557  0.00  0.00    +0.046 A 
BRANCH  19  25
ATOM     25  O   LIG    1       -4.569  -0.575   0.796  0.00  0.00    -0.475 OA
BRANCH  25  27
ATOM     26  C   LIG    1       -5.891  -0.507  -1.260  0.00  0.00    +0.067 C 
ATOM     27  C   LIG    1       -5.211  -1.383  -0.197  0.00  0.00    +0.200 C 
ATOM     28  C   LIG    1       -6.319  -2.116   0.585  0.00  0.00    +0.067 C 
BRANCH  27  29
ATOM     29  C   LIG    1       -4.340  -2.502  -0.801  0.00  0.00    +0.348 C 
ATOM     30  O   LIG    1       -3.294  -2.947  -0.355  0.00  0.00    -0.247 OA
BRANCH  29  31
ATOM     31  O   LIG    1       -4.857  -3.046  -1.925  0.00  0.00    -0.478 OA
ATOM     32  H   LIG    1       -4.213  -3.748  -2.159  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  27  29
ENDBRANCH  25  27
ENDBRANCH  19  25
ENDBRANCH  18  22
ENDBRANCH   1  18
TORSDOF 8