REMARK  Name = BDB052825
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.009   0.100  -0.152  0.00  0.00    +0.037 A 
ATOM      2  N   LIG    1       -0.699  -0.949  -0.746  0.00  0.00    -0.340 N 
ATOM      3  C   LIG    1        0.141  -1.605  -1.648  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1        1.390  -0.985  -1.587  0.00  0.00    +0.012 A 
ATOM      5  C   LIG    1        2.433  -1.451  -2.419  0.00  0.00    +0.011 A 
ATOM      6  C   LIG    1        2.212  -2.529  -3.279  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        0.969  -3.144  -3.320  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -0.081  -2.697  -2.511  0.00  0.00    +0.026 A 
ATOM      9  C   LIG    1        1.306   0.053  -0.616  0.00  0.00    +0.066 A 
ENDROOT
BRANCH   9  10
ATOM     10  C   LIG    1        2.378   0.960  -0.210  0.00  0.00    +0.249 C 
ATOM     11  N   LIG    1        3.518   0.383   0.359  0.00  0.00    -0.295 N 
ATOM     12  C   LIG    1        4.562   1.300   0.816  0.00  0.00    +0.123 C 
ATOM     13  C   LIG    1        5.929   0.607   0.950  0.00  0.00    +0.100 C 
ATOM     14  N   LIG    1        5.874  -0.621   1.761  0.00  0.00    -0.313 NA
ATOM     15  H   LIG    1        6.788  -1.073   1.744  0.00  0.00    +0.122 HD
ATOM     16  C   LIG    1        4.868  -1.537   1.201  0.00  0.00    +0.100 C 
ATOM     17  C   LIG    1        3.476  -0.894   1.084  0.00  0.00    +0.123 C 
ATOM     18  O   LIG    1        2.271   2.172  -0.380  0.00  0.00    -0.270 OA
ENDBRANCH   9  10
BRANCH   2  19
ATOM     19  C   LIG    1       -2.065  -1.410  -0.469  0.00  0.00    +0.088 C 
ATOM     20  C   LIG    1       -2.180  -2.137   0.882  0.00  0.00    +0.025 C 
ATOM     21  C   LIG    1       -3.575  -2.734   1.071  0.00  0.00    +0.002 C 
ATOM     22  C   LIG    1       -4.676  -1.696   0.869  0.00  0.00    +0.000 C 
ATOM     23  C   LIG    1       -4.554  -0.995  -0.483  0.00  0.00    +0.002 C 
ATOM     24  C   LIG    1       -3.172  -0.364  -0.658  0.00  0.00    +0.025 C 
ENDBRANCH   2  19
BRANCH   1  25
ATOM     25  C   LIG    1       -0.570   1.078   0.851  0.00  0.00    +0.089 C 
BRANCH  25  28
ATOM     26  C   LIG    1       -2.479   2.664   2.504  0.00  0.00    +0.047 C 
ATOM     27  C   LIG    1       -2.153   3.063   1.091  0.00  0.00    -0.012 A 
ATOM     28  C   LIG    1       -1.258   2.315   0.287  0.00  0.00    -0.036 A 
ATOM     29  C   LIG    1       -0.990   2.776  -1.016  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -1.618   3.912  -1.533  0.00  0.00    +0.003 A 
ATOM     31  C   LIG    1       -2.523   4.618  -0.751  0.00  0.00    +0.038 A 
ATOM     32  C   LIG    1       -2.781   4.192   0.546  0.00  0.00    +0.127 A 
ATOM     33  F   LIG    1       -3.657   4.893   1.282  0.00  0.00    -0.205 F 
ENDBRANCH  25  28
ENDBRANCH   1  25
TORSDOF 4