REMARK  Name = BDB017101
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.754  -0.128  -1.077  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1        4.738  -0.901  -0.513  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1        3.567  -0.300  -0.015  0.00  0.00    -0.014 A 
ATOM      4  C   LIG    1        3.419   1.103  -0.087  0.00  0.00    -0.017 A 
ATOM      5  C   LIG    1        2.249   1.700   0.409  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1        1.221   0.925   0.965  0.00  0.00    +0.018 A 
ATOM      7  C   LIG    1        1.378  -0.459   1.051  0.00  0.00    +0.012 A 
ATOM      8  C   LIG    1        4.446   1.870  -0.653  0.00  0.00    +0.012 A 
ATOM      9  C   LIG    1        2.539  -1.065   0.560  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1        5.601   1.257  -1.143  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1        7.145  -2.000  -1.547  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1        6.932  -0.595  -1.593  0.00  0.00    -0.495 OA
ENDBRANCH   1  12
BRANCH   6  13
ATOM     13  C   LIG    1        0.014   1.641   1.472  0.00  0.00    +0.167 C 
ATOM     14  O   LIG    1        0.169   2.772   1.938  0.00  0.00    -0.292 OA
BRANCH  13  15
ATOM     15  C   LIG    1       -1.377   1.014   1.431  0.00  0.00    +0.074 C 
ATOM     16  C   LIG    1       -1.698   0.296   0.114  0.00  0.00    +0.095 C 
ATOM     17  N   LIG    1       -3.078  -0.211   0.030  0.00  0.00    -0.301 NA
ATOM     18  C   LIG    1       -3.646  -0.601   1.331  0.00  0.00    +0.084 C 
ATOM     19  C   LIG    1       -2.580  -1.022   2.343  0.00  0.00    +0.016 C 
ATOM     20  C   LIG    1       -1.650   0.146   2.665  0.00  0.00    +0.014 C 
BRANCH  17  21
ATOM     21  C   LIG    1       -3.954   0.709  -0.708  0.00  0.00    +0.088 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -5.260   0.050  -1.053  0.00  0.00    +0.003 C 
ATOM     23  C   LIG    1       -5.915   0.302  -2.389  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1       -5.319  -1.044  -2.090  0.00  0.00    +0.005 C 
ENDBRANCH  21  22
ENDBRANCH  17  21
ENDBRANCH  13  15
ENDBRANCH   6  13
TORSDOF 5