REMARK  Name = BDB017296
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.674  -0.973  -0.838  0.00  0.00    +0.168 C 
ATOM      2  O   LIG    1       -1.155  -1.130  -1.960  0.00  0.00    -0.292 OA
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        0.703  -0.389  -0.753  0.00  0.00    +0.018 A 
ATOM      4  C   LIG    1        1.524  -0.527   0.367  0.00  0.00    +0.020 A 
ATOM      5  C   LIG    1        2.808   0.050   0.405  0.00  0.00    -0.017 A 
ATOM      6  C   LIG    1        3.307   0.776  -0.705  0.00  0.00    -0.010 A 
ATOM      7  C   LIG    1        4.620   1.338  -0.627  0.00  0.00    +0.016 A 
ATOM      8  C   LIG    1        5.380   1.202   0.557  0.00  0.00    +0.125 A 
ATOM      9  C   LIG    1        4.866   0.480   1.631  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1        2.456   0.899  -1.827  0.00  0.00    +0.009 A 
ATOM     11  C   LIG    1        3.597  -0.092   1.552  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1        1.181   0.324  -1.853  0.00  0.00    +0.012 A 
BRANCH   8  13
ATOM     13  O   LIG    1        6.611   1.804   0.554  0.00  0.00    -0.495 OA
ATOM     14  C   LIG    1        7.327   1.849   1.783  0.00  0.00    +0.277 C 
ENDBRANCH   8  13
BRANCH   7  15
ATOM     15  C   LIG    1        5.214   2.126  -1.785  0.00  0.00    +0.157 C 
BRANCH  15  16
ATOM     16  C   LIG    1        4.819   3.542  -1.761  0.00  0.00    +0.067 C 
ATOM     17  N   LIG    1        4.505   4.660  -1.771  0.00  0.00    -0.196 NA
ENDBRANCH  15  16
ENDBRANCH   7  15
ENDBRANCH   1   3
BRANCH   1  19
ATOM     18  C   LIG    1       -2.706  -2.194   0.265  0.00  0.00    +0.002 C 
ATOM     19  C   LIG    1       -1.431  -1.331   0.448  0.00  0.00    +0.077 C 
ATOM     20  C   LIG    1       -1.774  -0.062   1.257  0.00  0.00    +0.096 C 
ATOM     21  N   LIG    1       -2.919   0.748   0.802  0.00  0.00    -0.299 NA
ATOM     22  C   LIG    1       -4.100  -0.110   0.595  0.00  0.00    +0.085 C 
ATOM     23  C   LIG    1       -3.864  -1.349  -0.278  0.00  0.00    +0.019 C 
BRANCH  21  24
ATOM     24  C   LIG    1       -2.632   1.545  -0.413  0.00  0.00    +0.057 C 
ATOM     25  C   LIG    1       -1.558   2.638  -0.145  0.00  0.00    +0.019 C 
ATOM     26  C   LIG    1       -2.680   3.590   0.302  0.00  0.00    +0.003 C 
ATOM     27  C   LIG    1       -3.653   2.719  -0.512  0.00  0.00    +0.019 C 
ENDBRANCH  21  24
BRANCH  18  28
ATOM     28  C   LIG    1       -2.454  -3.487  -0.539  0.00  0.00    +0.004 C 
BRANCH  28  30
ATOM     29  C   LIG    1       -4.017  -5.002   0.810  0.00  0.00    +0.004 C 
ATOM     30  C   LIG    1       -3.615  -4.489  -0.564  0.00  0.00    -0.003 C 
ENDBRANCH  28  30
ENDBRANCH  18  28
ENDBRANCH   1  19
TORSDOF 8