REMARK  Name = BDB017290
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.638  -0.408  -0.226  0.00  0.00    +0.125 A 
ATOM      2  C   LIG    1       -4.935   0.817  -0.184  0.00  0.00    +0.016 A 
ATOM      3  C   LIG    1       -3.531   0.829   0.090  0.00  0.00    -0.010 A 
ATOM      4  C   LIG    1       -2.878  -0.401   0.357  0.00  0.00    -0.017 A 
ATOM      5  C   LIG    1       -1.500  -0.435   0.639  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1       -0.738   0.735   0.649  0.00  0.00    +0.018 A 
ATOM      7  C   LIG    1       -1.366   1.953   0.395  0.00  0.00    +0.012 A 
ATOM      8  C   LIG    1       -3.609  -1.594   0.339  0.00  0.00    +0.012 A 
ATOM      9  C   LIG    1       -2.735   1.998   0.115  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1       -4.972  -1.601   0.045  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1       -7.678  -1.542  -0.749  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1       -6.972  -0.325  -0.534  0.00  0.00    -0.495 OA
ENDBRANCH   1  12
BRANCH   6  13
ATOM     13  C   LIG    1        0.724   0.747   0.943  0.00  0.00    +0.168 C 
ATOM     14  O   LIG    1        1.208   1.759   1.450  0.00  0.00    -0.292 OA
BRANCH  13  15
ATOM     15  C   LIG    1        1.585  -0.459   0.565  0.00  0.00    +0.077 C 
ATOM     16  C   LIG    1        2.316  -1.067   1.780  0.00  0.00    -0.001 C 
ATOM     17  C   LIG    1        1.394  -1.387   2.956  0.00  0.00    +0.008 C 
ATOM     18  C   LIG    1        3.513  -0.214   2.228  0.00  0.00    +0.019 C 
ATOM     19  C   LIG    1        4.259   0.450   1.065  0.00  0.00    +0.085 C 
ATOM     20  N   LIG    1        3.987  -0.241  -0.207  0.00  0.00    -0.299 NA
ATOM     21  C   LIG    1        2.564  -0.027  -0.553  0.00  0.00    +0.096 C 
BRANCH  20  22
ATOM     22  C   LIG    1        4.837   0.331  -1.265  0.00  0.00    +0.057 C 
ATOM     23  C   LIG    1        4.780  -0.561  -2.535  0.00  0.00    +0.019 C 
ATOM     24  C   LIG    1        6.309  -0.377  -2.633  0.00  0.00    +0.003 C 
ATOM     25  C   LIG    1        6.297  -0.175  -1.103  0.00  0.00    +0.019 C 
ENDBRANCH  20  22
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   2  26
ATOM     26  C   LIG    1       -5.693   2.102  -0.478  0.00  0.00    +0.157 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -5.605   2.494  -1.893  0.00  0.00    +0.067 C 
ATOM     28  N   LIG    1       -5.531   2.831  -3.002  0.00  0.00    -0.196 NA
ENDBRANCH  26  27
ENDBRANCH   2  26
TORSDOF 6