REMARK  Name = BDB057845
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.921  -0.190  -0.271  0.00  0.00    +0.163 A 
ATOM      2  N   LIG    1        3.585  -0.762   0.738  0.00  0.00    -0.227 NA
ATOM      3  C   LIG    1        3.197  -1.983   1.111  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1        2.140  -2.664   0.494  0.00  0.00    +0.040 A 
ATOM      5  C   LIG    1        1.808  -3.972   0.936  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1        2.504  -4.574   1.982  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        3.539  -3.884   2.596  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        1.492  -1.967  -0.544  0.00  0.00    +0.131 A 
ATOM      9  C   LIG    1        3.875  -2.602   2.154  0.00  0.00    +0.028 A 
ATOM     10  N   LIG    1        1.903  -0.752  -0.941  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1        3.759   2.164   0.196  0.00  0.00    +0.065 A 
ATOM     12  C   LIG    1        3.359   1.147  -0.706  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1        3.390   1.440  -2.088  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        3.822   2.677  -2.570  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        4.236   3.658  -1.680  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        4.205   3.405  -0.310  0.00  0.00    +0.013 A 
BRANCH  11  18
ATOM     17  F   LIG    1        3.768   3.166   2.370  0.00  0.00    -0.166 F 
ATOM     18  C   LIG    1        3.712   1.974   1.698  0.00  0.00    +0.418 C 
ATOM     19  F   LIG    1        4.755   1.251   2.190  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1        2.567   1.386   2.146  0.00  0.00    -0.166 F 
ENDBRANCH  11  18
ENDBRANCH   1  12
BRANCH   8  21
ATOM     21  N   LIG    1        0.415  -2.580  -1.219  0.00  0.00    -0.324 N 
ATOM     22  H   LIG    1       -0.248  -2.917  -0.525  0.00  0.00    +0.148 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -0.270  -1.786  -2.234  0.00  0.00    +0.138 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -1.450  -1.051  -1.638  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1       -1.313   0.262  -1.174  0.00  0.00    +0.006 A 
ATOM     26  C   LIG    1       -2.400   0.931  -0.601  0.00  0.00    +0.009 A 
ATOM     27  C   LIG    1       -3.650   0.307  -0.471  0.00  0.00    -0.018 A 
ATOM     28  C   LIG    1       -3.776  -1.013  -0.933  0.00  0.00    +0.009 A 
ATOM     29  C   LIG    1       -2.692  -1.685  -1.506  0.00  0.00    +0.006 A 
BRANCH  27  30
ATOM     30  C   LIG    1       -4.792   1.014   0.131  0.00  0.00    -0.018 A 
ATOM     31  C   LIG    1       -5.503   0.456   1.207  0.00  0.00    +0.008 A 
ATOM     32  C   LIG    1       -6.588   1.127   1.780  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1       -6.981   2.367   1.285  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -6.290   2.938   0.219  0.00  0.00    +0.001 A 
ATOM     35  C   LIG    1       -5.205   2.267  -0.352  0.00  0.00    +0.008 A 
ENDBRANCH  27  30
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   8  21
TORSDOF 6