REMARK  Name = BDB017294
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.775  -1.270  -0.414  0.00  0.00    +0.018 A 
ATOM      2  C   LIG    1        1.229   0.047  -0.323  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1        2.599   0.332  -0.177  0.00  0.00    -0.017 A 
ATOM      4  C   LIG    1        3.554  -0.715  -0.134  0.00  0.00    -0.010 A 
ATOM      5  C   LIG    1        4.937  -0.379   0.009  0.00  0.00    +0.016 A 
ATOM      6  C   LIG    1        5.328   0.973   0.143  0.00  0.00    +0.125 A 
ATOM      7  C   LIG    1        4.368   1.981   0.091  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1        3.063  -2.038  -0.235  0.00  0.00    +0.009 A 
ATOM      9  C   LIG    1        3.021   1.662  -0.072  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        1.699  -2.311  -0.379  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1  11
ATOM     11  C   LIG    1       -0.667  -1.614  -0.571  0.00  0.00    +0.168 C 
ATOM     12  O   LIG    1       -0.962  -2.650  -1.165  0.00  0.00    -0.292 OA
BRANCH  11  14
ATOM     13  C   LIG    1       -2.785  -1.379   0.898  0.00  0.00    +0.002 C 
ATOM     14  C   LIG    1       -1.730  -0.674  -0.002  0.00  0.00    +0.077 C 
ATOM     15  C   LIG    1       -2.377   0.035  -1.211  0.00  0.00    +0.096 C 
ATOM     16  N   LIG    1       -3.664   0.692  -0.937  0.00  0.00    -0.299 NA
ATOM     17  C   LIG    1       -4.644  -0.291  -0.422  0.00  0.00    +0.085 C 
ATOM     18  C   LIG    1       -4.065  -1.621   0.091  0.00  0.00    +0.019 C 
BRANCH  16  19
ATOM     19  C   LIG    1       -3.521   1.835  -0.009  0.00  0.00    +0.057 C 
ATOM     20  C   LIG    1       -2.774   3.018  -0.690  0.00  0.00    +0.019 C 
ATOM     21  C   LIG    1       -4.127   3.531  -1.213  0.00  0.00    +0.003 C 
ATOM     22  C   LIG    1       -4.796   2.727  -0.084  0.00  0.00    +0.019 C 
ENDBRANCH  16  19
BRANCH  13  24
ATOM     23  C   LIG    1       -3.176  -3.095   2.756  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1       -2.265  -2.634   1.624  0.00  0.00    +0.001 C 
ENDBRANCH  13  24
ENDBRANCH  11  14
ENDBRANCH   1  11
BRANCH   6  25
ATOM     25  O   LIG    1        6.670   1.196   0.312  0.00  0.00    -0.495 OA
ATOM     26  C   LIG    1        7.087   2.524   0.610  0.00  0.00    +0.277 C 
ENDBRANCH   6  25
BRANCH   5  27
ATOM     27  C   LIG    1        6.011  -1.455   0.063  0.00  0.00    +0.157 C 
BRANCH  27  28
ATOM     28  C   LIG    1        6.194  -1.996   1.418  0.00  0.00    +0.067 C 
ATOM     29  N   LIG    1        6.341  -2.449   2.477  0.00  0.00    -0.196 NA
ENDBRANCH  27  28
ENDBRANCH   5  27
TORSDOF 7