REMARK  Name = BDB052860
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.338  -1.426  -0.223  0.00  0.00    +0.191 C 
ATOM      2  C   LIG    1       -1.157  -2.311   1.039  0.00  0.00    +0.258 C 
ATOM      3  O   LIG    1       -0.477  -2.076   2.030  0.00  0.00    -0.272 OA
ATOM      4  N   LIG    1       -1.910  -3.432   0.842  0.00  0.00    -0.245 N 
ATOM      5  C   LIG    1       -1.971  -4.533   1.774  0.00  0.00    +0.141 C 
ATOM      6  C   LIG    1       -2.478  -3.360  -0.374  0.00  0.00    +0.183 C 
ATOM      7  N   LIG    1       -2.237  -2.299  -1.070  0.00  0.00    -0.230 NA
ENDROOT
BRANCH   1  10
ATOM      8  C   LIG    1        2.295  -0.295  -0.858  0.00  0.00    +0.025 A 
ATOM      9  C   LIG    1        1.070  -0.544  -0.230  0.00  0.00    +0.023 A 
ATOM     10  C   LIG    1        0.014  -1.173  -0.917  0.00  0.00    -0.006 A 
ATOM     11  C   LIG    1        0.227  -1.531  -2.261  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1        1.450  -1.284  -2.889  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1        2.484  -0.667  -2.188  0.00  0.00    +0.017 A 
BRANCH   8  15
ATOM     14  C   LIG    1        4.237   0.883   0.471  0.00  0.00    -0.094 C 
ATOM     15  C   LIG    1        3.352   0.344  -0.137  0.00  0.00    -0.066 C 
BRANCH  14  17
ATOM     16  C   LIG    1        4.848   2.889   1.763  0.00  0.00    +0.021 C 
ATOM     17  C   LIG    1        5.321   1.542   1.221  0.00  0.00    +0.058 C 
ATOM     18  C   LIG    1        6.550   1.719   0.334  0.00  0.00    +0.021 C 
ENDBRANCH  14  17
ENDBRANCH   8  15
ENDBRANCH   1  10
BRANCH   1  19
ATOM     19  C   LIG    1       -2.066  -0.094   0.056  0.00  0.00    -0.007 A 
ATOM     20  C   LIG    1       -2.029   0.553   1.300  0.00  0.00    +0.010 A 
ATOM     21  C   LIG    1       -2.688   1.772   1.495  0.00  0.00    +0.046 A 
ATOM     22  C   LIG    1       -3.381   2.387   0.451  0.00  0.00    +0.127 A 
ATOM     23  C   LIG    1       -3.430   1.759  -0.791  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1       -2.773   0.538  -0.986  0.00  0.00    +0.010 A 
BRANCH  22  25
ATOM     25  O   LIG    1       -3.976   3.573   0.774  0.00  0.00    -0.434 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -4.311   4.416  -0.315  0.00  0.00    +0.541 C 
ATOM     27  F   LIG    1       -5.428   3.941  -0.920  0.00  0.00    -0.166 F 
ATOM     28  F   LIG    1       -4.638   5.630   0.199  0.00  0.00    -0.166 F 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH   1  19
BRANCH   6  29
ATOM     29  N   LIG    1       -3.271  -4.348  -0.850  0.00  0.00    -0.331 N 
ATOM     30  H   LIG    1       -3.842  -4.835  -0.172  0.00  0.00    +0.145 HD
ATOM     31  H   LIG    1       -3.800  -4.053  -1.666  0.00  0.00    +0.145 HD
ENDBRANCH   6  29
TORSDOF 7