REMARK  Name = BDB017193
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.335  -0.392   1.111  0.00  0.00    +0.018 A 
ATOM      2  C   LIG    1        1.281  -0.733   2.090  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1        2.613  -0.292   2.007  0.00  0.00    -0.014 A 
ATOM      4  C   LIG    1        3.016   0.508   0.914  0.00  0.00    +0.024 A 
ATOM      5  C   LIG    1        4.363   0.929   0.848  0.00  0.00    +0.136 A 
ATOM      6  C   LIG    1        5.277   0.599   1.855  0.00  0.00    +0.047 A 
ATOM      7  C   LIG    1        4.869  -0.190   2.926  0.00  0.00    +0.004 A 
ATOM      8  C   LIG    1        2.057   0.842  -0.063  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1        3.549  -0.635   2.998  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1        0.733   0.398   0.032  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1  12
ATOM     11  O   LIG    1       -1.304  -1.682   2.197  0.00  0.00    -0.292 OA
ATOM     12  C   LIG    1       -1.065  -0.903   1.275  0.00  0.00    +0.167 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -2.151  -0.461   0.296  0.00  0.00    +0.074 C 
ATOM     14  C   LIG    1       -3.537  -0.561   0.964  0.00  0.00    +0.095 C 
ATOM     15  N   LIG    1       -4.580  -0.395  -0.056  0.00  0.00    -0.301 NA
ATOM     16  C   LIG    1       -4.594  -1.532  -0.993  0.00  0.00    +0.084 C 
ATOM     17  C   LIG    1       -3.241  -2.244  -1.135  0.00  0.00    +0.016 C 
ATOM     18  C   LIG    1       -2.073  -1.273  -1.009  0.00  0.00    +0.014 C 
BRANCH  15  19
ATOM     19  C   LIG    1       -5.893  -0.166   0.560  0.00  0.00    +0.088 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -6.893   0.276  -0.471  0.00  0.00    +0.003 C 
ATOM     21  C   LIG    1       -7.927   1.323  -0.134  0.00  0.00    +0.005 C 
ATOM     22  C   LIG    1       -6.808   1.652  -1.083  0.00  0.00    +0.005 C 
ENDBRANCH  19  20
ENDBRANCH  15  19
ENDBRANCH  12  13
ENDBRANCH   1  12
BRANCH   5  23
ATOM     23  O   LIG    1        4.758   1.742  -0.196  0.00  0.00    -0.455 OA
BRANCH  23  24
ATOM     24  C   LIG    1        5.786   1.286  -0.993  0.00  0.00    +0.128 A 
ATOM     25  C   LIG    1        5.921  -0.048  -1.389  0.00  0.00    +0.046 A 
ATOM     26  C   LIG    1        6.974  -0.419  -2.227  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        7.881   0.540  -2.678  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        7.733   1.874  -2.299  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        6.681   2.248  -1.462  0.00  0.00    +0.046 A 
ENDBRANCH  23  24
ENDBRANCH   5  23
TORSDOF 6