REMARK  Name = BDB020865
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.124  -0.279   0.781  0.00  0.00    +0.041 A 
ATOM      2  C   LIG    1        0.290  -0.222   1.937  0.00  0.00    +0.172 A 
ATOM      3  N   LIG    1       -1.069  -0.225   1.735  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -1.623  -0.134   2.979  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1       -0.676  -0.107   3.889  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -1.664  -0.295   0.468  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -0.896  -0.340  -0.588  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        0.533  -0.167   3.232  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        0.471  -0.330  -0.403  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1        6.506  -1.190  -0.995  0.00  0.00    +0.403 C 
ATOM     11  N   LIG    1        5.684  -0.850   0.072  0.00  0.00    -0.267 N 
ATOM     12  C   LIG    1        4.672  -1.806   0.506  0.00  0.00    +0.116 C 
ATOM     13  C   LIG    1        3.263  -1.417   0.050  0.00  0.00    +0.054 C 
ATOM     14  C   LIG    1        2.599  -0.291   0.828  0.00  0.00    -0.038 C 
ATOM     15  C   LIG    1        3.251   0.611   1.591  0.00  0.00    -0.021 C 
ATOM     16  C   LIG    1        4.736   0.789   1.766  0.00  0.00    +0.046 C 
ATOM     17  C   LIG    1        5.590   0.536   0.521  0.00  0.00    +0.115 C 
ATOM     18  O   LIG    1        6.516  -2.289  -1.536  0.00  0.00    -0.226 OA
BRANCH  10  20
ATOM     19  C   LIG    1        8.171  -0.464  -2.476  0.00  0.00    +0.282 C 
ATOM     20  O   LIG    1        7.304  -0.156  -1.384  0.00  0.00    -0.454 OA
ENDBRANCH  10  20
ENDBRANCH   1  14
BRANCH   6  21
ATOM     21  N   LIG    1       -3.040  -0.308   0.374  0.00  0.00    -0.310 N 
ATOM     22  H   LIG    1       -3.560  -0.656   1.172  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -3.698  -0.599  -0.890  0.00  0.00    +0.143 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -5.161  -0.288  -0.770  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1       -5.642   1.017  -0.726  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -4.909   2.306  -0.736  0.00  0.00    +0.080 C 
ATOM     27  C   LIG    1       -6.084   3.257  -0.967  0.00  0.00    +0.234 C 
ATOM     28  O   LIG    1       -7.305   2.611  -0.535  0.00  0.00    -0.491 OA
ATOM     29  C   LIG    1       -6.999   1.276  -0.582  0.00  0.00    +0.124 A 
ATOM     30  C   LIG    1       -7.934   0.268  -0.471  0.00  0.00    +0.049 A 
ATOM     31  C   LIG    1       -7.477  -1.049  -0.519  0.00  0.00    +0.042 A 
ATOM     32  C   LIG    1       -6.109  -1.315  -0.666  0.00  0.00    +0.129 A 
ATOM     33  F   LIG    1       -5.705  -2.593  -0.686  0.00  0.00    -0.205 F 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   6  21
TORSDOF 5