REMARK  Name = BDB056390
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.193  -4.277  -0.730  0.00  0.00    -0.245 OA
ATOM      2  C   LIG    1        2.259  -3.052  -0.763  0.00  0.00    +0.350 A 
ATOM      3  N   LIG    1        3.487  -2.473  -0.898  0.00  0.00    -0.273 N 
ATOM      4  H   LIG    1        4.257  -3.123  -0.933  0.00  0.00    +0.174 HD
ATOM      5  C   LIG    1        3.777  -1.218  -0.471  0.00  0.00    +0.263 A 
ATOM      6  O   LIG    1        4.922  -0.841  -0.249  0.00  0.00    -0.267 OA
ATOM      7  C   LIG    1        2.591  -0.377  -0.269  0.00  0.00    +0.083 A 
ATOM      8  C   LIG    1        1.240  -0.970  -0.429  0.00  0.00    +0.156 A 
ATOM      9  N   LIG    1        0.077  -0.160  -0.296  0.00  0.00    -0.290 N 
ATOM     10  C   LIG    1        0.230   1.256  -0.030  0.00  0.00    +0.067 A 
ATOM     11  C   LIG    1        1.532   1.751   0.256  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1        1.742   3.082   0.646  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1        0.676   3.962   0.729  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -0.591   3.530   0.362  0.00  0.00    +0.014 A 
ATOM     15  C   LIG    1       -0.832   2.199  -0.061  0.00  0.00    +0.079 A 
ATOM     16  C   LIG    1        2.712   0.901   0.100  0.00  0.00    +0.027 A 
ATOM     17  N   LIG    1        1.157  -2.256  -0.651  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   9  18
ATOM     18  C   LIG    1       -1.121  -0.885   0.020  0.00  0.00    +0.084 A 
ATOM     19  C   LIG    1       -1.780  -1.653  -0.955  0.00  0.00    +0.147 A 
ATOM     20  F   LIG    1       -1.335  -1.655  -2.221  0.00  0.00    -0.203 F 
ATOM     21  C   LIG    1       -2.916  -2.395  -0.644  0.00  0.00    +0.040 A 
ATOM     22  C   LIG    1       -3.409  -2.390   0.659  0.00  0.00    +0.003 A 
ATOM     23  C   LIG    1       -2.763  -1.644   1.646  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -1.624  -0.897   1.332  0.00  0.00    +0.029 A 
ENDBRANCH   9  18
BRANCH  15  25
ATOM     25  C   LIG    1       -2.221   1.921  -0.596  0.00  0.00    +0.419 C 
ATOM     26  F   LIG    1       -3.052   1.370   0.328  0.00  0.00    -0.166 F 
ATOM     27  F   LIG    1       -2.860   3.063  -0.999  0.00  0.00    -0.166 F 
ATOM     28  F   LIG    1       -2.244   1.117  -1.690  0.00  0.00    -0.166 F 
ENDBRANCH  15  25
TORSDOF 2