REMARK  Name = BDB017103
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.738   2.103   0.678  0.00  0.00    +0.167 C 
ATOM      2  O   LIG    1        1.111   2.915   1.525  0.00  0.00    -0.292 OA
ENDROOT
BRANCH   1   8
ATOM      3  C   LIG    1        5.615  -2.197   0.023  0.00  0.00    +0.121 A 
ATOM      4  C   LIG    1        4.513  -1.935  -0.797  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1        3.573  -0.948  -0.461  0.00  0.00    -0.014 A 
ATOM      6  C   LIG    1        3.746  -0.208   0.728  0.00  0.00    -0.017 A 
ATOM      7  C   LIG    1        2.807   0.780   1.067  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1        1.697   1.038   0.247  0.00  0.00    +0.018 A 
ATOM      9  C   LIG    1        1.537   0.308  -0.934  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        4.855  -0.477   1.544  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1        2.467  -0.678  -1.281  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1        5.783  -1.464   1.195  0.00  0.00    +0.046 A 
BRANCH   3  14
ATOM     13  C   LIG    1        7.584  -3.487   0.360  0.00  0.00    +0.277 C 
ATOM     14  O   LIG    1        6.444  -3.186  -0.434  0.00  0.00    -0.495 OA
ENDBRANCH   3  14
ENDBRANCH   1   8
BRANCH   1  15
ATOM     15  C   LIG    1       -0.664   2.147   0.075  0.00  0.00    +0.074 C 
ATOM     16  C   LIG    1       -1.489   0.933   0.550  0.00  0.00    +0.096 C 
ATOM     17  N   LIG    1       -2.951   1.133   0.504  0.00  0.00    -0.299 NA
ATOM     18  C   LIG    1       -3.340   2.091  -0.526  0.00  0.00    +0.085 C 
ATOM     19  C   LIG    1       -2.791   3.481  -0.180  0.00  0.00    +0.016 C 
ATOM     20  C   LIG    1       -1.392   3.444   0.441  0.00  0.00    +0.014 C 
BRANCH  17  21
ATOM     21  C   LIG    1       -3.676  -0.140   0.518  0.00  0.00    +0.057 C 
ATOM     22  C   LIG    1       -3.794  -0.901  -0.805  0.00  0.00    +0.019 C 
ATOM     23  C   LIG    1       -4.849  -1.965  -0.513  0.00  0.00    +0.002 C 
ATOM     24  C   LIG    1       -5.731  -1.393   0.600  0.00  0.00    +0.002 C 
ATOM     25  C   LIG    1       -5.141  -0.029   0.952  0.00  0.00    +0.019 C 
ENDBRANCH  17  21
ENDBRANCH   1  15
TORSDOF 4