REMARK  Name = BDB057072
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.719  -0.821  -0.765  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -1.435  -1.803  -0.060  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -2.739  -1.968  -0.471  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1       -2.902  -1.790  -1.449  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1       -0.911  -2.470   0.830  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   1   9
ATOM      6  N   LIG    1        3.338   0.519   0.013  0.00  0.00    -0.302 NA
ATOM      7  C   LIG    1        3.081  -0.247  -1.216  0.00  0.00    +0.086 C 
ATOM      8  C   LIG    1        1.600  -0.200  -1.600  0.00  0.00    +0.038 C 
ATOM      9  C   LIG    1        0.730  -0.732  -0.456  0.00  0.00    +0.080 C 
ATOM     10  C   LIG    1        1.039   0.045   0.829  0.00  0.00    +0.038 C 
ATOM     11  C   LIG    1        2.536  -0.005   1.134  0.00  0.00    +0.086 C 
BRANCH   6  12
ATOM     12  C   LIG    1        4.767   0.515   0.382  0.00  0.00    +0.084 C 
BRANCH  12  13
ATOM     13  C   LIG    1        5.637   1.318  -0.596  0.00  0.00    +0.015 C 
BRANCH  13  15
ATOM     14  C   LIG    1        7.859   0.222   0.021  0.00  0.00    +0.004 C 
ATOM     15  C   LIG    1        7.072   1.518  -0.096  0.00  0.00    -0.002 C 
ENDBRANCH  13  15
ENDBRANCH  12  13
ENDBRANCH   6  12
ENDBRANCH   1   9
BRANCH   3  16
ATOM     16  C   LIG    1       -3.749  -2.696   0.193  0.00  0.00    +0.035 A 
ATOM     17  C   LIG    1       -4.912  -2.993  -0.528  0.00  0.00    +0.035 A 
ATOM     18  C   LIG    1       -5.973  -3.700   0.065  0.00  0.00    +0.057 A 
ATOM     19  C   LIG    1       -5.864  -4.088   1.407  0.00  0.00    +0.012 A 
ATOM     20  C   LIG    1       -4.714  -3.783   2.134  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -3.664  -3.087   1.530  0.00  0.00    +0.023 A 
BRANCH  18  22
ATOM     22  C   LIG    1       -7.224  -3.999  -0.722  0.00  0.00    +0.417 C 
ATOM     23  F   LIG    1       -8.137  -2.992  -0.642  0.00  0.00    -0.166 F 
ATOM     24  F   LIG    1       -7.868  -5.124  -0.304  0.00  0.00    -0.166 F 
ATOM     25  F   LIG    1       -6.985  -4.180  -2.051  0.00  0.00    -0.166 F 
ENDBRANCH  18  22
ENDBRANCH   3  16
BRANCH   1  26
ATOM     26  C   LIG    1       -1.370   0.289  -1.482  0.00  0.00    +0.144 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -1.581   1.535  -0.652  0.00  0.00    -0.026 A 
ATOM     28  C   LIG    1       -1.001   2.751  -1.052  0.00  0.00    +0.054 A 
ATOM     29  C   LIG    1       -1.225   3.869  -0.276  0.00  0.00    +0.167 A 
ATOM     30  O   LIG    1       -0.736   5.114  -0.519  0.00  0.00    -0.453 OA
ATOM     31  C   LIG    1       -1.274   5.840   0.606  0.00  0.00    +0.466 C 
ATOM     32  O   LIG    1       -2.090   5.029   1.476  0.00  0.00    -0.453 OA
ATOM     33  C   LIG    1       -1.998   3.821   0.860  0.00  0.00    +0.166 A 
ATOM     34  C   LIG    1       -2.592   2.653   1.282  0.00  0.00    +0.050 A 
ATOM     35  C   LIG    1       -2.382   1.502   0.515  0.00  0.00    +0.009 A 
ENDBRANCH  26  27
ENDBRANCH   1  26
TORSDOF 8