REMARK  Name = BDB054106
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.834  -0.265  -0.248  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1       -0.514  -0.461   0.104  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1       -0.186   0.019   0.934  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -2.270  -0.484  -1.378  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        0.488  -0.819  -0.895  0.00  0.00    +0.087 C 
ATOM      6  C   LIG    1        1.702  -1.528  -0.240  0.00  0.00    +0.106 C 
ATOM      7  N   LIG    1        2.935  -1.597  -1.055  0.00  0.00    -0.300 NA
ATOM      8  C   LIG    1        2.652  -1.316  -2.467  0.00  0.00    +0.084 C 
ATOM      9  C   LIG    1        2.024   0.060  -2.706  0.00  0.00    +0.017 C 
ATOM     10  C   LIG    1        0.951   0.415  -1.673  0.00  0.00    +0.025 C 
BRANCH   7  11
ATOM     11  C   LIG    1        4.002  -0.758  -0.475  0.00  0.00    +0.089 C 
BRANCH  11  12
ATOM     12  C   LIG    1        5.371  -0.912  -1.161  0.00  0.00    +0.050 C 
BRANCH  12  13
ATOM     13  C   LIG    1        6.451  -0.157  -0.420  0.00  0.00    -0.046 A 
ATOM     14  C   LIG    1        7.218  -0.801   0.563  0.00  0.00    +0.006 A 
ATOM     15  C   LIG    1        8.202  -0.098   1.260  0.00  0.00    +0.038 A 
ATOM     16  C   LIG    1        8.415   1.245   0.978  0.00  0.00    +0.123 A 
ATOM     17  F   LIG    1        9.359   1.919   1.648  0.00  0.00    -0.205 F 
ATOM     18  C   LIG    1        7.663   1.902   0.011  0.00  0.00    +0.038 A 
ATOM     19  C   LIG    1        6.678   1.202  -0.688  0.00  0.00    +0.006 A 
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   1  20
ATOM     20  C   LIG    1       -2.748   0.213   0.905  0.00  0.00    +0.162 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.341  -0.943   1.746  0.00  0.00    +0.018 C 
ATOM     22  C   LIG    1       -4.201  -1.927   0.925  0.00  0.00    +0.006 C 
ATOM     23  C   LIG    1       -4.467  -3.210   1.704  0.00  0.00    +0.000 C 
ATOM     24  C   LIG    1       -3.174  -3.962   2.021  0.00  0.00    +0.000 C 
ATOM     25  C   LIG    1       -1.942  -3.059   2.083  0.00  0.00    +0.000 C 
ATOM     26  C   LIG    1       -2.281  -1.668   2.606  0.00  0.00    +0.006 C 
ENDBRANCH  20  21
BRANCH  20  28
ATOM     27  C   LIG    1       -3.604   2.373   0.094  0.00  0.00    +0.230 C 
ATOM     28  N   LIG    1       -3.805   1.020   0.296  0.00  0.00    -0.302 N 
ATOM     29  H   LIG    1       -4.338   0.546  -0.425  0.00  0.00    +0.150 HD
ATOM     30  O   LIG    1       -2.658   2.988   0.585  0.00  0.00    -0.274 OA
BRANCH  27  31
ATOM     31  C   LIG    1       -4.662   3.039  -0.813  0.00  0.00    +0.137 C 
ATOM     32  C   LIG    1       -4.279   2.804  -2.272  0.00  0.00    +0.034 C 
BRANCH  31  34
ATOM     33  C   LIG    1       -5.415   4.795   0.688  0.00  0.00    +0.101 C 
ATOM     34  N   LIG    1       -4.729   4.495  -0.563  0.00  0.00    -0.309 NA
ATOM     35  H   LIG    1       -3.765   4.833  -0.488  0.00  0.00    +0.122 HD
ENDBRANCH  31  34
ENDBRANCH  27  31
ENDBRANCH  20  28
ENDBRANCH   1  20
TORSDOF 9