REMARK  Name = BDB017310
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.128  -1.571  -0.522  0.00  0.00    +0.181 C 
ATOM      2  O   LIG    1       -0.469  -2.666  -0.977  0.00  0.00    -0.290 OA
ENDROOT
BRANCH   1   8
ATOM      3  C   LIG    1        5.950   0.412   0.947  0.00  0.00    +0.121 A 
ATOM      4  C   LIG    1        5.478  -0.695   0.236  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1        4.102  -0.911   0.053  0.00  0.00    -0.014 A 
ATOM      6  C   LIG    1        3.180   0.009   0.596  0.00  0.00    -0.017 A 
ATOM      7  C   LIG    1        1.801  -0.201   0.415  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1        1.330  -1.310  -0.298  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        2.252  -2.221  -0.827  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        3.664   1.116   1.310  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1        3.624  -2.023  -0.655  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1        5.038   1.317   1.484  0.00  0.00    +0.046 A 
BRANCH   3  14
ATOM     13  C   LIG    1        7.846   1.597   1.759  0.00  0.00    +0.277 C 
ATOM     14  O   LIG    1        7.313   0.490   1.043  0.00  0.00    -0.495 OA
ENDBRANCH   3  14
ENDBRANCH   1   8
BRANCH   1  15
ATOM     15  C   LIG    1       -1.155  -0.479  -0.189  0.00  0.00    +0.142 C 
ATOM     16  N   LIG    1       -1.374  -0.363   1.284  0.00  0.00    -0.293 NA
ATOM     17  C   LIG    1       -1.752  -1.635   1.909  0.00  0.00    +0.105 C 
ATOM     18  C   LIG    1       -2.418   0.660   1.508  0.00  0.00    +0.100 C 
ATOM     19  C   LIG    1       -3.715   0.469   0.682  0.00  0.00    +0.100 C 
ATOM     20  N   LIG    1       -3.452   0.388  -0.775  0.00  0.00    -0.296 NA
ATOM     21  C   LIG    1       -2.459  -0.697  -1.005  0.00  0.00    +0.111 C 
BRANCH  20  22
ATOM     22  C   LIG    1       -4.710   0.063  -1.489  0.00  0.00    +0.057 C 
ATOM     23  C   LIG    1       -4.536   0.284  -3.019  0.00  0.00    +0.019 C 
ATOM     24  C   LIG    1       -4.977   1.745  -2.825  0.00  0.00    +0.003 C 
ATOM     25  C   LIG    1       -5.654   1.299  -1.517  0.00  0.00    +0.019 C 
ENDBRANCH  20  22
ENDBRANCH   1  15
TORSDOF 4