REMARK  Name = BDB017100
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.395  -1.659   1.543  0.00  0.00    +0.167 C 
ATOM      2  O   LIG    1        0.506  -2.122   2.681  0.00  0.00    -0.292 OA
ENDROOT
BRANCH   1   8
ATOM      3  C   LIG    1        6.348   0.397  -0.179  0.00  0.00    +0.121 A 
ATOM      4  C   LIG    1        5.087   0.818  -0.607  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1        3.917   0.226  -0.094  0.00  0.00    -0.014 A 
ATOM      6  C   LIG    1        4.021  -0.806   0.864  0.00  0.00    -0.017 A 
ATOM      7  C   LIG    1        2.853  -1.396   1.374  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1        1.584  -0.984   0.941  0.00  0.00    +0.018 A 
ATOM      9  C   LIG    1        1.486   0.047   0.004  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        5.292  -1.220   1.287  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1        2.643   0.642  -0.510  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1        6.442  -0.623   0.768  0.00  0.00    +0.046 A 
BRANCH   3  14
ATOM     13  C   LIG    1        7.514   1.943  -1.560  0.00  0.00    +0.277 C 
ATOM     14  O   LIG    1        7.550   0.893  -0.603  0.00  0.00    -0.495 OA
ENDBRANCH   3  14
ENDBRANCH   1   8
BRANCH   1  15
ATOM     15  C   LIG    1       -0.932  -1.776   0.803  0.00  0.00    +0.074 C 
ATOM     16  C   LIG    1       -1.783  -0.506   0.981  0.00  0.00    +0.096 C 
ATOM     17  N   LIG    1       -2.650  -0.231  -0.182  0.00  0.00    -0.299 NA
ATOM     18  C   LIG    1       -3.266  -1.467  -0.669  0.00  0.00    +0.085 C 
ATOM     19  C   LIG    1       -2.202  -2.382  -1.291  0.00  0.00    +0.016 C 
ATOM     20  C   LIG    1       -0.818  -2.230  -0.653  0.00  0.00    +0.014 C 
BRANCH  17  21
ATOM     21  C   LIG    1       -3.578   0.891   0.074  0.00  0.00    +0.061 C 
ATOM     22  C   LIG    1       -4.713   0.611   1.078  0.00  0.00    +0.047 C 
ATOM     23  C   LIG    1       -5.883   1.575   0.895  0.00  0.00    +0.161 C 
ATOM     24  O   LIG    1       -5.424   2.828   0.403  0.00  0.00    -0.380 OA
ATOM     25  C   LIG    1       -4.942   2.744  -0.940  0.00  0.00    +0.161 C 
ATOM     26  C   LIG    1       -4.163   1.459  -1.225  0.00  0.00    +0.047 C 
ENDBRANCH  17  21
ENDBRANCH   1  15
TORSDOF 4