REMARK  Name = BDB017097
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.654   0.334   0.107  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1        4.414   0.751  -0.382  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1        3.223   0.146   0.063  0.00  0.00    -0.014 A 
ATOM      4  C   LIG    1        3.284  -0.895   1.014  0.00  0.00    -0.017 A 
ATOM      5  C   LIG    1        2.094  -1.497   1.456  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1        0.845  -1.089   0.963  0.00  0.00    +0.018 A 
ATOM      7  C   LIG    1        0.791  -0.051   0.031  0.00  0.00    +0.012 A 
ATOM      8  C   LIG    1        4.533  -1.305   1.500  0.00  0.00    +0.012 A 
ATOM      9  C   LIG    1        1.970   0.557  -0.417  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1        5.705  -0.695   1.047  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1        6.880   1.897  -1.201  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1        6.873   0.842  -0.248  0.00  0.00    -0.495 OA
ENDBRANCH   1  12
BRANCH   6  13
ATOM     13  C   LIG    1       -0.370  -1.782   1.498  0.00  0.00    +0.167 C 
ATOM     14  O   LIG    1       -0.285  -2.345   2.592  0.00  0.00    -0.292 OA
BRANCH  13  15
ATOM     15  C   LIG    1       -1.694  -1.798   0.742  0.00  0.00    +0.074 C 
ATOM     16  C   LIG    1       -2.457  -0.474   0.913  0.00  0.00    +0.096 C 
ATOM     17  N   LIG    1       -3.161  -0.055  -0.320  0.00  0.00    -0.299 NA
ATOM     18  C   LIG    1       -3.903  -1.202  -0.864  0.00  0.00    +0.085 C 
ATOM     19  C   LIG    1       -2.940  -2.266  -1.404  0.00  0.00    +0.016 C 
ATOM     20  C   LIG    1       -1.575  -2.263  -0.711  0.00  0.00    +0.014 C 
BRANCH  17  21
ATOM     21  C   LIG    1       -4.097   1.036  -0.000  0.00  0.00    +0.057 C 
ATOM     22  C   LIG    1       -3.310   2.343   0.295  0.00  0.00    +0.019 C 
ATOM     23  C   LIG    1       -4.364   3.073  -0.565  0.00  0.00    +0.003 C 
ATOM     24  C   LIG    1       -4.561   1.734  -1.308  0.00  0.00    +0.019 C 
ENDBRANCH  17  21
ENDBRANCH  13  15
ENDBRANCH   6  13
TORSDOF 4