REMARK  Name = BDB017266
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.328  -1.141   0.802  0.00  0.00    +0.168 C 
ATOM      2  O   LIG    1        0.271  -1.674   1.911  0.00  0.00    -0.292 OA
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        1.657  -0.655   0.311  0.00  0.00    +0.018 A 
ATOM      4  C   LIG    1        2.800  -1.028   1.038  0.00  0.00    +0.020 A 
ATOM      5  C   LIG    1        4.082  -0.614   0.644  0.00  0.00    -0.017 A 
ATOM      6  C   LIG    1        4.225   0.196  -0.505  0.00  0.00    -0.017 A 
ATOM      7  C   LIG    1        5.507   0.612  -0.901  0.00  0.00    +0.027 A 
ATOM      8  C   LIG    1        6.639   0.231  -0.170  0.00  0.00    +0.052 A 
ATOM      9  C   LIG    1        6.495  -0.569   0.965  0.00  0.00    +0.019 A 
ATOM     10  C   LIG    1        3.079   0.570  -1.224  0.00  0.00    +0.009 A 
ATOM     11  C   LIG    1        5.225  -0.988   1.368  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1        1.807   0.150  -0.821  0.00  0.00    +0.012 A 
BRANCH   8  13
ATOM     13  C   LIG    1        7.941   0.663  -0.587  0.00  0.00    +0.099 C 
ATOM     14  N   LIG    1        8.992   1.014  -0.929  0.00  0.00    -0.191 NA
ENDBRANCH   8  13
ENDBRANCH   1   3
BRANCH   1  17
ATOM     15  C   LIG    1       -1.349  -3.459  -0.289  0.00  0.00    +0.008 C 
ATOM     16  C   LIG    1       -1.932  -2.100   0.108  0.00  0.00    -0.001 C 
ATOM     17  C   LIG    1       -0.921  -0.948  -0.057  0.00  0.00    +0.077 C 
ATOM     18  C   LIG    1       -1.567   0.398   0.342  0.00  0.00    +0.096 C 
ATOM     19  N   LIG    1       -3.007   0.514   0.033  0.00  0.00    -0.299 NA
ATOM     20  C   LIG    1       -3.379  -0.340  -1.095  0.00  0.00    +0.085 C 
ATOM     21  C   LIG    1       -3.205  -1.815  -0.719  0.00  0.00    +0.019 C 
BRANCH  19  22
ATOM     22  C   LIG    1       -3.356   1.914  -0.243  0.00  0.00    +0.057 C 
ATOM     23  C   LIG    1       -3.243   2.760   1.056  0.00  0.00    +0.019 C 
ATOM     24  C   LIG    1       -4.573   3.423   0.640  0.00  0.00    +0.003 C 
ATOM     25  C   LIG    1       -4.891   2.115  -0.116  0.00  0.00    +0.019 C 
ENDBRANCH  19  22
ENDBRANCH   1  17
TORSDOF 4