REMARK  Name = BDB017102
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.508  -0.852  -1.109  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1        4.625  -1.485  -0.229  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1        3.405  -0.890   0.132  0.00  0.00    -0.014 A 
ATOM      4  C   LIG    1        3.066   0.368  -0.405  0.00  0.00    -0.017 A 
ATOM      5  C   LIG    1        1.846   0.964  -0.046  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1        0.956   0.331   0.837  0.00  0.00    +0.018 A 
ATOM      7  C   LIG    1        1.301  -0.916   1.366  0.00  0.00    +0.012 A 
ATOM      8  C   LIG    1        3.958   0.996  -1.287  0.00  0.00    +0.012 A 
ATOM      9  C   LIG    1        2.514  -1.520   1.015  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1        5.170   0.391  -1.637  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1        7.587  -0.953  -2.258  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1        6.656  -1.552  -1.366  0.00  0.00    -0.495 OA
ENDBRANCH   1  12
BRANCH   6  13
ATOM     13  C   LIG    1       -0.327   1.036   1.167  0.00  0.00    +0.167 C 
ATOM     14  O   LIG    1       -0.507   2.163   0.707  0.00  0.00    -0.292 OA
BRANCH  13  15
ATOM     15  C   LIG    1       -1.372   0.346   2.047  0.00  0.00    +0.074 C 
ATOM     16  C   LIG    1       -2.120  -0.754   1.268  0.00  0.00    +0.095 C 
ATOM     17  N   LIG    1       -3.393  -0.354   0.657  0.00  0.00    -0.301 NA
ATOM     18  C   LIG    1       -4.327   0.242   1.627  0.00  0.00    +0.084 C 
ATOM     19  C   LIG    1       -3.694   0.691   2.949  0.00  0.00    +0.016 C 
ATOM     20  C   LIG    1       -2.341   1.346   2.703  0.00  0.00    +0.014 C 
BRANCH  17  21
ATOM     21  C   LIG    1       -3.196   0.490  -0.530  0.00  0.00    +0.088 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.384   0.354  -1.443  0.00  0.00    +0.003 C 
ATOM     23  C   LIG    1       -4.203   0.406  -2.940  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1       -4.574  -0.890  -2.275  0.00  0.00    +0.005 C 
ENDBRANCH  21  22
ENDBRANCH  17  21
ENDBRANCH  13  15
ENDBRANCH   6  13
TORSDOF 5