REMARK  Name = BDB021977
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.062  -0.107   1.575  0.00  0.00    -0.252 OA
ATOM      2  C   LIG    1        2.271   0.162   0.400  0.00  0.00    +0.308 C 
ATOM      3  N   LIG    1        3.525   0.193  -0.198  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1        3.573   0.669  -1.085  0.00  0.00    +0.156 HD
ATOM      5  N   LIG    1        1.294   0.481  -0.533  0.00  0.00    -0.269 N 
ATOM      6  H   LIG    1        1.573   0.432  -1.500  0.00  0.00    +0.156 HD
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        4.759  -0.176   0.377  0.00  0.00    +0.035 A 
ATOM      8  C   LIG    1        5.918   0.109  -0.357  0.00  0.00    +0.035 A 
ATOM      9  C   LIG    1        7.192  -0.237   0.129  0.00  0.00    +0.057 A 
ATOM     10  C   LIG    1        7.294  -0.868   1.375  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1        6.145  -1.161   2.107  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1        4.885  -0.820   1.608  0.00  0.00    +0.023 A 
BRANCH   9  13
ATOM     13  C   LIG    1        8.429   0.102  -0.664  0.00  0.00    +0.417 C 
ATOM     14  F   LIG    1        8.220   0.071  -2.011  0.00  0.00    -0.166 F 
ATOM     15  F   LIG    1        9.469  -0.746  -0.431  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1        8.894   1.352  -0.389  0.00  0.00    -0.166 F 
ENDBRANCH   9  13
ENDBRANCH   3   7
BRANCH   5  17
ATOM     17  C   LIG    1       -0.086   0.665  -0.305  0.00  0.00    +0.035 A 
ATOM     18  C   LIG    1       -0.906   0.816  -1.430  0.00  0.00    +0.023 A 
ATOM     19  C   LIG    1       -2.283   1.011  -1.289  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1       -2.869   1.059  -0.018  0.00  0.00    -0.033 A 
ATOM     21  C   LIG    1       -2.046   0.917   1.105  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1       -0.666   0.724   0.962  0.00  0.00    +0.023 A 
BRANCH  20  23
ATOM     23  C   LIG    1       -4.359   1.277   0.136  0.00  0.00    +0.119 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -5.162   0.260  -0.550  0.00  0.00    -0.298 NA
ATOM     25  C   LIG    1       -6.591   0.569  -0.501  0.00  0.00    +0.085 C 
ATOM     26  C   LIG    1       -7.238  -0.742  -0.919  0.00  0.00    +0.017 C 
ATOM     27  C   LIG    1       -6.235  -1.821  -0.525  0.00  0.00    +0.017 C 
ATOM     28  C   LIG    1       -5.046  -1.068   0.057  0.00  0.00    +0.085 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH   5  17
TORSDOF 5