REMARK  Name = BDB063236
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.358   0.761   0.217  0.00  0.00    +0.258 A 
ATOM      2  N   LIG    1       -0.323  -0.103   0.119  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1        0.845   0.277   0.672  0.00  0.00    +0.147 A 
ATOM      4  C   LIG    1        0.945   1.482   1.337  0.00  0.00    +0.178 A 
ATOM      5  N   LIG    1       -0.097   2.327   1.418  0.00  0.00    -0.151 NA
ATOM      6  N   LIG    1       -1.264   1.957   0.840  0.00  0.00    -0.110 NA
ENDROOT
BRANCH   1  15
ATOM      7  F   LIG    1       -2.131  -3.979  -2.549  0.00  0.00    -0.205 F 
ATOM      8  C   LIG    1       -2.811  -2.881  -2.190  0.00  0.00    +0.125 A 
ATOM      9  C   LIG    1       -2.157  -1.897  -1.446  0.00  0.00    +0.066 A 
ATOM     10  C   LIG    1       -2.898  -0.758  -1.085  0.00  0.00    +0.079 A 
ATOM     11  C   LIG    1       -4.234  -0.614  -1.458  0.00  0.00    +0.090 A 
ATOM     12  N   LIG    1       -4.753   0.561  -1.003  0.00  0.00    -0.232 NA
ATOM     13  C   LIG    1       -3.775   1.150  -0.349  0.00  0.00    +0.121 A 
ATOM     14  C   LIG    1       -4.868  -1.620  -2.208  0.00  0.00    +0.033 A 
ATOM     15  N   LIG    1       -2.605   0.403  -0.372  0.00  0.00    -0.263 N 
ATOM     16  C   LIG    1       -4.140  -2.757  -2.571  0.00  0.00    +0.040 A 
BRANCH  13  17
ATOM     17  C   LIG    1       -3.999   2.534   0.344  0.00  0.00    +0.056 C 
ATOM     18  C   LIG    1       -5.376   2.883   0.851  0.00  0.00    +0.012 C 
ATOM     19  C   LIG    1       -4.280   2.567   1.825  0.00  0.00    +0.012 C 
ENDBRANCH  13  17
ENDBRANCH   1  15
BRANCH   3  20
ATOM     20  N   LIG    1        1.895  -0.640   0.573  0.00  0.00    -0.298 N 
ATOM     21  H   LIG    1        1.567  -1.482   0.109  0.00  0.00    +0.154 HD
BRANCH  20  22
ATOM     22  C   LIG    1        3.287  -0.471   0.483  0.00  0.00    +0.032 A 
ATOM     23  C   LIG    1        4.106  -1.578   0.750  0.00  0.00    +0.024 A 
ATOM     24  C   LIG    1        5.500  -1.476   0.713  0.00  0.00    +0.014 A 
ATOM     25  C   LIG    1        6.114  -0.253   0.414  0.00  0.00    +0.055 A 
ATOM     26  C   LIG    1        5.301   0.854   0.139  0.00  0.00    +0.014 A 
ATOM     27  C   LIG    1        3.906   0.745   0.179  0.00  0.00    +0.024 A 
BRANCH  25  28
ATOM     28  C   LIG    1        7.618  -0.141   0.349  0.00  0.00    +0.417 C 
ATOM     29  F   LIG    1        8.256  -1.009   1.183  0.00  0.00    -0.166 F 
ATOM     30  F   LIG    1        8.102  -0.395  -0.898  0.00  0.00    -0.166 F 
ATOM     31  F   LIG    1        8.075   1.098   0.683  0.00  0.00    -0.166 F 
ENDBRANCH  25  28
ENDBRANCH  20  22
ENDBRANCH   3  20
TORSDOF 5