REMARK  Name = BDB017223
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.288  -1.248   0.679  0.00  0.00    +0.168 C 
ATOM      2  O   LIG    1        0.172  -1.898   1.717  0.00  0.00    -0.292 OA
ENDROOT
BRANCH   1   8
ATOM      3  C   LIG    1        5.073   2.994  -0.772  0.00  0.00    +0.121 A 
ATOM      4  C   LIG    1        5.011   1.946   0.150  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1        3.845   1.171   0.283  0.00  0.00    -0.014 A 
ATOM      6  C   LIG    1        2.723   1.454  -0.527  0.00  0.00    -0.017 A 
ATOM      7  C   LIG    1        1.558   0.673  -0.402  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1        1.498  -0.381   0.518  0.00  0.00    +0.018 A 
ATOM      9  C   LIG    1        2.607  -0.644   1.329  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        2.794   2.514  -1.443  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1        3.771   0.120   1.210  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1        3.958   3.276  -1.559  0.00  0.00    +0.046 A 
BRANCH   3  14
ATOM     13  C   LIG    1        7.350   3.494  -0.300  0.00  0.00    +0.277 C 
ATOM     14  O   LIG    1        6.148   3.810  -0.993  0.00  0.00    -0.495 OA
ENDBRANCH   3  14
ENDBRANCH   1   8
BRANCH   1  15
ATOM     15  C   LIG    1       -0.737  -1.316  -0.455  0.00  0.00    +0.077 C 
ATOM     16  C   LIG    1       -1.361  -2.727  -0.570  0.00  0.00    -0.001 C 
ATOM     17  C   LIG    1       -0.384  -3.728  -1.190  0.00  0.00    +0.008 C 
ATOM     18  C   LIG    1       -2.637  -2.627  -1.408  0.00  0.00    +0.019 C 
ATOM     19  C   LIG    1       -3.675  -1.716  -0.743  0.00  0.00    +0.084 C 
ATOM     20  N   LIG    1       -3.100  -0.723   0.176  0.00  0.00    -0.301 NA
ATOM     21  C   LIG    1       -1.806  -0.211  -0.285  0.00  0.00    +0.096 C 
BRANCH  20  22
ATOM     22  C   LIG    1       -4.037   0.367   0.479  0.00  0.00    +0.088 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -5.220  -0.141   1.257  0.00  0.00    +0.003 C 
ATOM     24  C   LIG    1       -5.082  -0.506   2.714  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -5.862   0.717   2.320  0.00  0.00    +0.005 C 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   1  15
TORSDOF 5