REMARK  Name = BDB027737
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.670   0.726   0.042  0.00  0.00    +0.133 A 
ATOM      2  C   LIG    1       -0.410   1.476   1.199  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        0.901   1.413   1.666  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1        1.172   2.145   2.813  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1        0.282   2.908   3.504  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1       -0.970   2.952   3.017  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1        1.858   0.698   1.056  0.00  0.00    -0.226 NA
ATOM      8  C   LIG    1        1.523   0.034  -0.057  0.00  0.00    +0.165 A 
ATOM      9  C   LIG    1       -1.361   2.266   1.883  0.00  0.00    +0.033 A 
ATOM     10  N   LIG    1        0.287   0.026  -0.587  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        2.553  -0.760  -0.743  0.00  0.00    +0.057 A 
ATOM     12  C   LIG    1        3.919  -0.589  -0.502  0.00  0.00    +0.152 A 
ATOM     13  F   LIG    1        4.380   0.331   0.358  0.00  0.00    -0.203 F 
ATOM     14  C   LIG    1        4.840  -1.374  -1.181  0.00  0.00    +0.149 A 
ATOM     15  N   LIG    1        4.507  -2.320  -2.088  0.00  0.00    -0.260 NA
ATOM     16  C   LIG    1        3.190  -2.482  -2.321  0.00  0.00    +0.111 A 
ATOM     17  C   LIG    1        2.200  -1.742  -1.689  0.00  0.00    +0.034 A 
ENDBRANCH   8  11
BRANCH   1  18
ATOM     18  N   LIG    1       -1.977   0.718  -0.505  0.00  0.00    -0.306 N 
ATOM     19  C   LIG    1       -1.928   1.196  -1.894  0.00  0.00    +0.131 C 
BRANCH  18  21
ATOM     20  C   LIG    1       -3.154  -0.770   1.107  0.00  0.00    +0.037 C 
ATOM     21  C   LIG    1       -2.684  -0.605  -0.344  0.00  0.00    +0.175 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -1.984  -1.899  -0.826  0.00  0.00    +0.408 C 
ATOM     23  F   LIG    1       -0.973  -2.296  -0.024  0.00  0.00    -0.169 F 
ATOM     24  F   LIG    1       -2.883  -2.920  -0.845  0.00  0.00    -0.169 F 
ATOM     25  F   LIG    1       -1.510  -1.793  -2.089  0.00  0.00    -0.169 F 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH   1  18
TORSDOF 4