REMARK  Name = BDB061820
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.311  -0.483   0.806  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1        0.344  -1.711   0.627  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1        1.468  -1.707  -0.165  0.00  0.00    +0.068 A 
ATOM      4  N   LIG    1        2.300  -2.766  -0.508  0.00  0.00    -0.306 N 
ATOM      5  H   LIG    1        2.217  -3.727  -0.215  0.00  0.00    +0.170 HD
ATOM      6  C   LIG    1        3.334  -2.288  -1.327  0.00  0.00    +0.328 A 
ATOM      7  N   LIG    1        3.108  -0.907  -1.492  0.00  0.00    -0.288 N 
ATOM      8  O   LIG    1        4.244  -2.954  -1.788  0.00  0.00    -0.247 OA
ATOM      9  C   LIG    1        1.962  -0.549  -0.768  0.00  0.00    +0.070 A 
ATOM     10  C   LIG    1        1.344   0.670  -0.596  0.00  0.00    +0.029 A 
ATOM     11  C   LIG    1        0.195   0.699   0.207  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  13
ATOM     12  O   LIG    1       -1.678  -1.324   2.529  0.00  0.00    -0.270 OA
ATOM     13  C   LIG    1       -1.529  -0.468   1.663  0.00  0.00    +0.244 C 
ATOM     14  N   LIG    1       -2.454   0.518   1.398  0.00  0.00    -0.307 N 
ATOM     15  H   LIG    1       -2.375   1.056   0.544  0.00  0.00    +0.149 HD
BRANCH  14  16
ATOM     16  C   LIG    1       -3.732   0.548   2.071  0.00  0.00    +0.140 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -4.780  -0.198   1.276  0.00  0.00    -0.019 A 
ATOM     18  C   LIG    1       -5.417   0.369   0.146  0.00  0.00    +0.059 A 
ATOM     19  C   LIG    1       -6.378  -0.389  -0.549  0.00  0.00    +0.013 A 
ATOM     20  C   LIG    1       -6.693  -1.688  -0.150  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1       -6.050  -2.251   0.947  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -5.099  -1.515   1.651  0.00  0.00    +0.006 A 
BRANCH  18  23
ATOM     23  C   LIG    1       -5.086   1.765  -0.329  0.00  0.00    +0.418 C 
ATOM     24  F   LIG    1       -5.432   2.723   0.574  0.00  0.00    -0.166 F 
ATOM     25  F   LIG    1       -3.749   1.937  -0.558  0.00  0.00    -0.166 F 
ATOM     26  F   LIG    1       -5.701   2.112  -1.494  0.00  0.00    -0.166 F 
ENDBRANCH  18  23
ENDBRANCH  16  17
ENDBRANCH  14  16
ENDBRANCH   1  13
BRANCH   7  27
ATOM     27  C   LIG    1        3.965  -0.021  -2.232  0.00  0.00    +0.162 C 
BRANCH  27  28
ATOM     28  C   LIG    1        4.911   0.753  -1.345  0.00  0.00    -0.022 A 
ATOM     29  C   LIG    1        4.819   2.148  -1.239  0.00  0.00    +0.044 A 
ATOM     30  C   LIG    1        5.695   2.848  -0.411  0.00  0.00    +0.126 A 
ATOM     31  F   LIG    1        5.587   4.180  -0.321  0.00  0.00    -0.205 F 
ATOM     32  C   LIG    1        6.675   2.191   0.318  0.00  0.00    +0.076 A 
ATOM     33  C   LIG    1        6.772   0.811   0.210  0.00  0.00    +0.126 A 
ATOM     34  F   LIG    1        7.715   0.162   0.905  0.00  0.00    -0.205 F 
ATOM     35  C   LIG    1        5.907   0.090  -0.611  0.00  0.00    +0.044 A 
ENDBRANCH  27  28
ENDBRANCH   7  27
TORSDOF 6