REMARK  Name = BDB017292
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.601  -0.903   0.627  0.00  0.00    +0.018 A 
ATOM      2  C   LIG    1        1.246  -0.673  -0.591  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1        2.584  -0.238  -0.633  0.00  0.00    -0.017 A 
ATOM      4  C   LIG    1        3.317  -0.036   0.563  0.00  0.00    -0.010 A 
ATOM      5  C   LIG    1        4.677   0.398   0.472  0.00  0.00    +0.016 A 
ATOM      6  C   LIG    1        5.254   0.659  -0.791  0.00  0.00    +0.125 A 
ATOM      7  C   LIG    1        4.511   0.450  -1.950  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1        2.640  -0.280   1.780  0.00  0.00    +0.009 A 
ATOM      9  C   LIG    1        3.194   0.002  -1.870  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        1.309  -0.710   1.812  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1  11
ATOM     11  C   LIG    1       -0.820  -1.360   0.722  0.00  0.00    +0.168 C 
ATOM     12  O   LIG    1       -1.163  -1.948   1.747  0.00  0.00    -0.292 OA
BRANCH  11  14
ATOM     13  C   LIG    1       -3.141  -1.842  -0.256  0.00  0.00    +0.002 C 
ATOM     14  C   LIG    1       -1.787  -1.099  -0.440  0.00  0.00    +0.077 C 
ATOM     15  C   LIG    1       -1.986   0.414  -0.681  0.00  0.00    +0.096 C 
ATOM     16  N   LIG    1       -3.122   1.049   0.003  0.00  0.00    -0.299 NA
ATOM     17  C   LIG    1       -4.389   0.352  -0.300  0.00  0.00    +0.085 C 
ATOM     18  C   LIG    1       -4.255  -1.039  -0.934  0.00  0.00    +0.019 C 
BRANCH  16  19
ATOM     19  C   LIG    1       -2.918   1.129   1.468  0.00  0.00    +0.057 C 
ATOM     20  C   LIG    1       -1.778   2.122   1.833  0.00  0.00    +0.019 C 
ATOM     21  C   LIG    1       -2.813   3.260   1.841  0.00  0.00    +0.003 C 
ATOM     22  C   LIG    1       -3.894   2.188   2.064  0.00  0.00    +0.019 C 
ENDBRANCH  16  19
BRANCH  13  24
ATOM     23  C   LIG    1       -4.251  -4.143  -0.478  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1       -3.036  -3.283  -0.796  0.00  0.00    +0.001 C 
ENDBRANCH  13  24
ENDBRANCH  11  14
ENDBRANCH   1  11
BRANCH   6  25
ATOM     25  O   LIG    1        6.550   1.107  -0.779  0.00  0.00    -0.495 OA
ATOM     26  C   LIG    1        7.106   1.555  -2.010  0.00  0.00    +0.277 C 
ENDBRANCH   6  25
BRANCH   5  27
ATOM     27  C   LIG    1        5.518   0.628   1.718  0.00  0.00    +0.157 C 
BRANCH  27  28
ATOM     28  C   LIG    1        5.333   1.975   2.279  0.00  0.00    +0.067 C 
ATOM     29  N   LIG    1        5.188   3.027   2.748  0.00  0.00    -0.196 NA
ENDBRANCH  27  28
ENDBRANCH   5  27
TORSDOF 7