REMARK  Name = BDB017098
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.947  -0.484   0.910  0.00  0.00    +0.074 C 
ATOM      2  C   LIG    1       -0.485  -0.952   0.558  0.00  0.00    +0.096 C 
ATOM      3  N   LIG    1       -1.278   0.133  -0.030  0.00  0.00    -0.299 NA
ATOM      4  C   LIG    1       -1.499   1.249   0.891  0.00  0.00    +0.085 C 
ATOM      5  C   LIG    1       -0.373   1.421   1.916  0.00  0.00    +0.016 C 
ATOM      6  C   LIG    1        0.972   0.995   1.341  0.00  0.00    +0.014 C 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -2.460  -0.347  -0.747  0.00  0.00    +0.057 C 
ATOM      8  C   LIG    1       -3.320   0.729  -1.418  0.00  0.00    +0.019 C 
ATOM      9  C   LIG    1       -4.557  -0.046  -1.857  0.00  0.00    +0.002 C 
ATOM     10  C   LIG    1       -4.752  -1.139  -0.806  0.00  0.00    +0.002 C 
ATOM     11  C   LIG    1       -3.497  -1.130   0.069  0.00  0.00    +0.019 C 
ENDBRANCH   3   7
BRANCH   1  13
ATOM     12  O   LIG    1        1.612  -1.315  -1.283  0.00  0.00    -0.292 OA
ATOM     13  C   LIG    1        1.931  -0.757  -0.235  0.00  0.00    +0.167 C 
BRANCH  13  14
ATOM     14  C   LIG    1        3.364  -0.372  -0.077  0.00  0.00    +0.019 A 
ATOM     15  C   LIG    1        4.088  -0.039  -1.229  0.00  0.00    +0.031 A 
ATOM     16  C   LIG    1        5.430   0.319  -1.124  0.00  0.00    +0.042 A 
ATOM     17 CL   LIG    1        6.317   0.740  -2.537  0.00  0.00    -0.084 Cl
ATOM     18  C   LIG    1        6.062   0.339   0.119  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1        5.348  -0.007   1.266  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        4.001  -0.366   1.170  0.00  0.00    +0.011 A 
ENDBRANCH  13  14
ENDBRANCH   1  13
TORSDOF 3